Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE7A | Q13946 | 2/20 | 0.45 |
| ▸ | CYP46A1 | Q9Y6A2 | 5/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.42 |
| ▸ | CCKBR | P32239 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1046527 | 1.00 | PDE7A (0.45) | PDE7ACYP46A1NR1I2NR3C1PGR | |
| SCHEMBL3496641 | 0.80 | ADRA2C (0.36) | HTR2A | |
| SCHEMBL4765863 | 0.75 | CYP46A1 (0.54) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| SCHEMBL4765852 | 0.75 | CYP46A1 (0.54) | CYP46A1NR1I2NR3C1PGRADRB1 | |
| SCHEMBL27655916 | 0.74 | PDE7A (0.43) | PDE7ACYP46A1NR1I2NR3C1PGR | |
| SCHEMBL1045118 | 0.69 | CYP46A1 (0.61) | PDE7ACYP46A1NR1I2NR3C1PGR | |
| SCHEMBL1152579 | 0.69 | CYP46A1 (0.61) | PDE7ACYP46A1NR1I2NR3C1PGR | |
| SCHEMBL29399335 | 0.69 | CYP46A1 (0.61) | PDE7ACYP46A1NR1I2NR3C1PGR | |
| SCHEMBL4088810 | 0.69 | PDE7A (0.45) | PDE7ACYP46A1NR1I2NR3C1PGR | |
| SCHEMBL29393057 | 0.69 | PDE7A (0.45) | PDE7ACYP46A1NR1I2NR3C1PGR |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030092722-A1 | 4,4-disubstituted-3,4-dihydro-2(1H)-quinazolines useful as HIV reverse transcriptase inhibitors | CORBETT JEFFREY W (US) | 2003-05-15 | — | — | US | claimed |
| US-6423718-B1 | 4,4-disubstituted-3,4-dihydro-2(1H)-quinazolinones useful as HIV reverse transcriptase inhibitors | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-07-23 | — | — | US | claimed |
| US-7872004-B2 | 6-(heterocyclyl-substituted benzyl)-4-oxoquinoline compound and use thereof as HIV integrase inhibitor | JAPAN TOBACCO INC. (JP) | 2011-01-18 | — | — | US | disclosed |
| US-20100160262-A1 | COMPOSITIONS AND METHODS FOR MODULATING SIRTUIN ACTIVITY | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2010-06-24 | — | — | US | disclosed |
| US-7485416-B2 | Screening methods for the identification of agents that inhibit SIRT1 Tat deacetylase activity | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2009-02-03 | — | — | US | disclosed |
| US-20080207618-A1 | 6- (Heterocyclyl-substituted Benzyl) -4-Oxoquinoline Compound and Use Thereof as HIV Integrase Inhibitor | JAPAN TOBACCO INC. (JP) | 2008-08-28 | — | — | US | disclosed |
| US-7015214-B2 | Cyanamide, alkoxyamino, and urea derivatives of 1,3-benzodiazepine as HIV reverse transcriptase inhibitors | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2006-03-21 | — | — | US | disclosed |
| US-6946469-B2 | Cyanamide, alkoxyamino, and urea derivatives of 4,4-disubstituted-3,4-dihydro-2(1H)-quinazolinones as HIV reverse transcriptase inhibitors | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2005-09-20 | — | — | US | disclosed |
| US-20030220327-A1 | Cyanamide, alkoxyamino, and urea derivatives of 1,3-benzodiazephine as HIV reverse transcriptase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) | 2003-11-27 | — | — | US | disclosed |
| US-6649644-B1 | Administering losoxantrone or etoposide; and efavirenz | BRISTOL-MYERS SQUIBB COMPANY | 2003-11-18 | — | — | US | disclosed |
| US-20030092722-A1 | 4,4-disubstituted-3,4-dihydro-2(1H)-quinazolines useful as HIV reverse transcriptase inhibitors | CORBETT JEFFREY W (US) | 2003-05-15 | — | — | US | disclosed |
| US-20030018039-A1 | Cyanamide, alkoxyamino, and urea derivatives of 4,4-disubstituted-3,4-dihydro-2(1H)-quinazolinones as HIV reverse transcriptase inhibitors | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2003-01-23 | — | — | US | disclosed |
| US-6423718-B1 | 4,4-disubstituted-3,4-dihydro-2(1H)-quinazolinones useful as HIV reverse transcriptase inhibitors | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-07-23 | — | — | US | disclosed |
| US-6204262-B1 | 1,3-Benzodiazepin-2-ones and 1,3-Benzoxazepin-2-ones useful as HIV reverse transcriptase inhibitors | DUPONT PHARMACEUTICALS COMPANY | 2001-03-20 | — | — | US | disclosed |
| US-6124302-A | TREATING HIV INFECTIONS | DUPONT PHARMACEUTICALS (US) | 2000-09-26 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030018039-A1 | Cyanamide, alkoxyamino, and urea derivatives of 4,4-disubstituted-3,4-dihydro-2(1H)-quinazolinones as HIV reverse transcriptase inhibitors | DUT, RNGTT, NQO2 | PDE7A 277/4885CYP46A1 2563/4885NR1I2 1265/4885 |
| US-20030220327-A1 | Cyanamide, alkoxyamino, and urea derivatives of 1,3-benzodiazephine as HIV reverse transcriptase inhibitors | XDH, CYP4Z1, CPN1 | PDE7A 1531/4885CYP46A1 631/4885NR1I2 320/4885 |
| US-20080207618-A1 | 6- (Heterocyclyl-substituted Benzyl) -4-Oxoquinoline Compound and Use Thereof as HIV Integrase Inhibitor | CDK6, INTS6, TYMP | PDE7A 838/4885CYP46A1 835/4885NR1I2 3016/4885 |
| US-20100160262-A1 | COMPOSITIONS AND METHODS FOR MODULATING SIRTUIN ACTIVITY | SIRT1, SIRT3, SIRT2 | PDE7A 1970/4885CYP46A1 3537/4885NR1I2 2490/4885 |
| US-20030092722-A1 | 4,4-disubstituted-3,4-dihydro-2(1H)-quinazolines useful as HIV reverse transcriptase inhibitors | DPYD, NQO2, POLRMT | PDE7A 297/4885CYP46A1 1440/4885NR1I2 628/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.