Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 4/20 | 0.42 |
| ▸ | TACR1 | P25103 | 5/20 | 0.38 |
| ▸ | TACR2 | P21452 | 2/20 | 0.36 |
| ▸ | RHOC | P08134 | 2/20 | 0.35 |
| ▸ | RHOA | P61586 | 2/20 | 0.35 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | CETP | P11597 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8882416 | 1.00 | MCHR1 (0.42) | MCHR1TACR1TACR2RHOCRHOA | |
| SCHEMBL8879740 | 0.89 | RHOC (0.43) | TACR1RHOCRHOAUTS2R | |
| SCHEMBL8069509 | 0.89 | RHOC (0.43) | TACR1RHOCRHOAUTS2R | |
| SCHEMBL8560072 | 0.86 | MCHR1 (0.39) | MCHR1TACR1TACR2RHOCRHOA | |
| SCHEMBL8560068 | 0.86 | MCHR1 (0.39) | MCHR1TACR1TACR2RHOCRHOA | |
| SCHEMBL8062563 | 0.86 | TACR1 (0.39) | TACR1KCNH2 | |
| SCHEMBL8064776 | 0.84 | ALDH1A1 (0.36) | MCHR1TACR1TACR2ALDH1A1 | |
| SCHEMBL8064773 | 0.84 | ALDH1A1 (0.36) | MCHR1TACR1TACR2ALDH1A1 | |
| SCHEMBL8063644 | 0.76 | TACR1 (0.43) | TACR1KCNH2 | |
| SCHEMBL8561494 | 0.73 | HTT (0.37) | MCHR1TACR1TACR2ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0783498-A4 | SUBSTITUTED ARYL PIPERAZINES AS NEUROKININ ANTAGONISTS | MERCK & CO INC (US) | 1998-04-15 | — | — | EP | disclosed |
| EP-0783498-A1 | SUBSTITUTED ARYL PIPERAZINES AS NEUROKININ ANTAGONISTS | MERCK & CO. INC. (US) | 1997-07-16 | — | — | EP | disclosed |
| US-5607936-A | USEFUL IN TREATMENT OF RESPIRATORY DISEASES | MERCK & CO., INC. (US) | 1997-03-04 | — | — | US | disclosed |
| WO-1996010568-A1 | SUBSTITUTED ARYL PIPERAZINES AS NEUROKININ ANTAGONISTS | MERCK & CO., INC. (US) | 1996-04-11 | — | — | WO | disclosed |