Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | CES1 | P23141 | 2/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.48 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.46 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.46 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | FNTA | P49354 | 1/20 | 0.41 |
| ▸ | FNTB | P49356 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7336694 | 1.00 | CYP3A4 (0.59) | CYP3A4CYP2C9CES1CES2AKR1B1 | |
| SCHEMBL800101 | 1.00 | CYP3A4 (0.59) | CYP3A4CYP2C9CES1CES2AKR1B1 | |
| SCHEMBL28765671 | 0.87 | CYP3A4 (0.49) | CYP3A4CYP2C9CES1CES2AKR1B1 | |
| SCHEMBL2190413 | 0.85 | CYP3A4 (0.56) | CYP3A4CYP2C9CES1CES2AKR1B1 | |
| SCHEMBL17784548 | 0.85 | CYP3A4 (0.56) | CYP3A4CYP2C9CES1CES2AKR1B1 | |
| SCHEMBL800564 | 0.85 | CA2 (0.52) | CYP3A4CYP2C9GRIK1GRIK2CTBP2 | |
| SCHEMBL800740 | 0.82 | CYP3A4 (0.61) | CYP3A4CYP2C9CES1CES2AKR1B1 | |
| SCHEMBL2191998 | 0.82 | CYP3A4 (0.53) | CYP3A4CYP2C9CES1CES2AKR1B1 | |
| SCHEMBL29117653 | 0.82 | CYP3A4 (0.45) | CYP3A4CYP2C9CES1CES2AKR1B1 | |
| SCHEMBL7923429 | 0.82 | CYP3A4 (0.66) | CYP3A4CYP2C9CES1CES2AKR1B1 |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8530456-B2 | Sonic hedgehog modulators | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2013-09-10 | — | — | US | disclosed |
| US-20110172233-A1 | SONIC HEDGEHOG MODULATORS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2011-07-14 | — | — | US | disclosed |
| WO-2009132032-A2 | SONIC HEDGEHOG MODULATORS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2009-10-29 | — | — | WO | disclosed |
| US-7582627-B2 | 3-Amino-7-[3-(1-aminoethyl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione; quinolone antibiotics; bactericides; for antibiotic- resistant bacterial infections, ciprofloxacin- resistant ones; inhibiting wild-type and quinolone- resistant mutants of DNA gryase | WARNER-LAMBERT COMPANY (US) | 2009-09-01 | — | — | US | disclosed |
| EP-1255739-B1 | 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS | WARNER LAMBERT CO (US) | 2008-06-11 | — | — | EP | disclosed |
| US-20060287308-A1 | 3-Aminoquinazolin-2,4-dione antibacterial agents | ZOETIS WLC LLC | 2006-12-21 | — | — | US | disclosed |
| US-7094780-B1 | 3-aminoquinazolin-2,4-dione antibacterial agents | WARNER LAMBERT COMPANY LLC (US) | 2006-08-22 | — | — | US | disclosed |
| US-20060183762-A1 | 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS | ZOETIS WLC LLC | 2006-08-17 | — | — | US | disclosed |
| EP-0797459-B1 | COATING PROCESS | MEDICARB AB (SE) | 2003-05-14 | — | — | EP | disclosed |
| EP-1255739-A1 | 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS | WARNER-LAMBERT COMPANY (US) | 2002-11-13 | — | — | EP | disclosed |
| US-5885647-A | Coating process | MEDICARB AB (SE) | 1999-03-23 | — | — | US | disclosed |
| EP-0900197-A1 | BETA-THIOPROPIONYL-AMINOACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS | SMITHKLINE BEECHAM PLC (GB) | 1999-03-10 | — | — | EP | disclosed |
| EP-0797459-A1 | COATING PROCESS | MEDICARB AB (SE) | 1997-10-01 | — | — | EP | disclosed |
| WO-1997030027-A1 | BETA-THIOPROPIONYL-AMINOACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS | SMITHKLINE BEECHAM PLC (GB) | 1997-08-21 | — | — | WO | disclosed |
| WO-1996018423-A1 | COATING PROCESS | MEDICARB AB (SE) | 1996-06-20 | — | — | WO | disclosed |
| WO-1995008531-A1 | ALKYLAMINOALKYL-TERMINATED SULFIDE/SULFONYL-CONTAINING PROPARGYL AMINO-DIOL COMPOUNDS FOR TREATMENT OF HYPERTENSION | G.D. SEARLE & CO. (US) | 1995-03-30 | — | — | WO | disclosed |
| EP-0590723-A1 | Block copolymers containing polyaromatic(alkyl)methacrylates and their blends with polycarbonates | ENICHEM S.p.A. (IT) | 1994-04-06 | — | — | EP | disclosed |
| US-5284916-A | Transparent melt processable compatible thermoplastic blends | ISTITUTO GUIDO DONEGANI S.P.A. (IT) | 1994-02-08 | — | — | US | disclosed |
| EP-0190687-B1 | PROCESS FOR PREPARING ETHYL-ALPHA-(1-CARBOXYETHYL)-AMINO-GAMMA-OXO-GAMMA-PHENYLBUTYRATE | KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1988-10-05 | — | — | EP | disclosed |
| EP-0190687-A1 | Process for preparing ethyl-alpha-(1-carboxyethyl)-amino-gamma-oxo-gamma-phenylbutyrate | KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1986-08-13 | — | — | EP | 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 (3 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-20060183762-A1 | 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS | ABL1, NQO2, CBR3 | CYP3A4 1188/4885CYP2C9 1392/4885CES1 4499/4885 |
| US-20110172233-A1 | SONIC HEDGEHOG MODULATORS | SHH, GLI1, SMO | CYP3A4 4815/4885CYP2C9 4853/4885CES1 4535/4885 |
| US-20060287308-A1 | 3-Aminoquinazolin-2,4-dione antibacterial agents | ABL1, NQO2, AAAS | CYP3A4 1134/4885CYP2C9 1351/4885CES1 4468/4885 |
“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.