Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.76 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.76 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | NPFFR1 | Q9GZQ6 | 4/20 | 0.53 |
| ▸ | NPFFR2 | Q9Y5X5 | 4/20 | 0.53 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.53 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.53 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.53 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.51 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | FAAH | O00519 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL10499605 | 0.91 | CYP2D6 (0.63) | CYP2D6ALDH1A1TSHRNPFFR1NPFFR2 | |
| Hydrochloric Acid SCHEMBL10499598 | 0.90 | CYP2D6 (0.61) | CYP2D6ALDH1A1TSHRNPFFR1NPFFR2 | |
| SCHEMBL971337 | 0.87 | CYP2D6 (0.70) | CYP2D6ALDH1A1TSHRNPFFR1NPFFR2 | |
| SCHEMBL3934933 | 0.86 | CYP2D6 (1.00) | CYP2D6ALDH1A1TSHRNPFFR1NPFFR2 | |
| SCHEMBL2996293 | 0.86 | CYP2D6 (0.68) | CYP2D6ALDH1A1TSHRNPFFR1NPFFR2 | |
| SCHEMBL3932598 | 0.85 | CYP2D6 (0.67) | CYP2D6ALDH1A1TSHRNPFFR1NPFFR2 | |
| SCHEMBL3939085 | 0.83 | CYP2D6 (0.65) | CYP2D6ALDH1A1TSHRNPFFR1NPFFR2 | |
| SCHEMBL7706329 | 0.83 | ALDH1A1 (0.65) | CYP2D6ALDH1A1TSHRNPFFR1NPFFR2 | |
| Hydrochloric Acid SCHEMBL28822566 | 0.82 | CYP2D6 (0.60) | CYP2D6ALDH1A1TSHRNPFFR1NPFFR2 | |
| SCHEMBL14716240 | 0.82 | CYP2D6 (0.63) | CYP2D6ALDH1A1TSHROPRK1OPRM1 |
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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2078003-B1 | ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF | MERCK SHARP & DOHME (US) | 2017-03-08 | — | — | EP | disclosed |
| EP-2078003-B1 | ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF | MERCK SHARP & DOHME (US) | 2017-03-08 | — | — | EP | disclosed |
| US-9206142-B2 | Anilinopiperazine derivatives and methods of use thereof | MERCK SHARP & DOHME CORP. (US) | 2015-12-08 | — | — | US | disclosed |
| US-9206142-B2 | Anilinopiperazine derivatives and methods of use thereof | MERCK SHARP & DOHME CORP. (US) | 2015-12-08 | — | — | US | disclosed |
| US-9206142-B2 | Anilinopiperazine derivatives and methods of use thereof | MERCK SHARP & DOHME CORP. (US) | 2015-12-08 | — | — | US | disclosed |
| EP-2078002-B1 | 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2013-08-28 | — | — | EP | disclosed |
| EP-2078002-B1 | 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2013-08-28 | — | — | EP | disclosed |
| US-20120328691-A1 | ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF | MERCK SHARP & DOHME LLC | 2012-12-27 | — | — | US | disclosed |
| US-20120328691-A1 | ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF | MERCK SHARP & DOHME LLC | 2012-12-27 | — | — | US | disclosed |
| US-20120328691-A1 | ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF | MERCK SHARP & DOHME LLC | 2012-12-27 | — | — | US | disclosed |
| WO-2008054702-A1 | ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF | SCHERING CORPORATION (US) | 2008-05-08 | — | — | WO | disclosed |
| WO-2008054702-A1 | ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF | SCHERING CORPORATION (US) | 2008-05-08 | — | — | WO | disclosed |
| US-20070293490-A1 | Quinazoline Derivatives | ASTRAZENECA AB (SE) | 2007-12-20 | — | — | US | disclosed |
| CN-1914182-A | Quinazoline derivatives | ASTRAZENECA AB (SE) | 2007-02-14 | — | — | CN | disclosed |
| EP-1720874-A1 | 4-SUBSTITUTED PIPERIDINE DERIVATIVES | Bioaxone Therapeutique Inc. (CA) | 2006-11-15 | — | — | EP | disclosed |
| EP-1713781-A1 | QUINAZOLINE DERIVATIVES | AstraZeneca AB (SE) | 2006-10-25 | — | — | EP | disclosed |
| US-20050272751-A1 | 4-Substituted piperidine derivatives | BIOAXONE THERAPEUTIQUE INC. (CA) | 2005-12-08 | — | — | US | disclosed |
| WO-2005080394-A1 | 4-SUBSTITUTED PIPERIDINE DERIVATIVES | BIOAXONE THERAPEUTIQUE INC. (CA) | 2005-09-01 | — | — | WO | disclosed |
| WO-2005075439-A1 | QUINAZOLINE DERIVATIVES | ASTRAZENECA AB (SE) | 2005-08-18 | — | — | WO | disclosed |
| EP-0121972-B1 | N-ARYL-ALPHA-AMINO-CARBOXAMIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 1989-05-24 | — | — | 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-20050272751-A1 | 4-Substituted piperidine derivatives | RHOC, PRPH, RHOT2 | CYP2D6 4523/4885ALDH1A1 1701/4885TSHR 1467/4885 |
| US-20070293490-A1 | Quinazoline Derivatives | CCNA1, CCND3, CCND2 | CYP2D6 473/4885ALDH1A1 1976/4885TSHR 1605/4885 |
| US-20120328691-A1 | ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF | MAPK15, CDK15, MAPKAPK5 | CYP2D6 3306/4885ALDH1A1 3548/4885TSHR 3397/4885 |
“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.