Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 10/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 6/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | RHOC | P08134 | 1/20 | 0.40 |
| ▸ | RHOA | P61586 | 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 | |
|---|---|---|---|---|
| SCHEMBL730772 | 0.81 | TACR1 (0.66) | TACR1CYP3A4TSHRUSP2RHOC | |
| SCHEMBL7865115 | 0.78 | TACR1 (0.38) | TACR1CYP3A4TSHRUSP2HSD17B10 | |
| SCHEMBL29116082 | 0.78 | ESR1 (0.49) | — | |
| SCHEMBL29891904 | 0.78 | ESR1 (0.49) | — | |
| SCHEMBL6265778 | 0.78 | TACR1 (0.48) | TACR1CYP3A4TSHRUSP2HSD17B10 | |
| SCHEMBL16401335 | 0.76 | RIPK1 (0.44) | — | |
| SCHEMBL7684256 | 0.74 | TACR1 (0.55) | TACR1CYP3A4TSHRUSP2CYP2C9 | |
| SCHEMBL13527945 | 0.74 | RIPK1 (0.42) | TSHR | |
| SCHEMBL3441482 | 0.74 | POLB (0.54) | CYP3A4TSHR | |
| SCHEMBL9565788 | 0.72 | RHOC (0.48) | TACR1CYP3A4USP2HSD17B10MGLL |
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-0869955-B1 | N-ACYL-2-SUBSTITUTED-4-(BENZIMIDAZOLYL- OR IMIDAZOPYRIDINYL-SUBSTITUTED RESIDUES)-PIPERIDINES AS TACHYKININ ANTAGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2001-10-24 | — | — | EP | disclosed |
| US-6110939-A | AS A SUBSTANCE P ANTAGONISTS TREATING TACHYKININ-MEDIATED DISEASE, ASTHMA, CENTRAL NERVOUS SYSTEM DISORDER | JANSSEN PHARMACEUTICA N.V. (BE) | 2000-08-29 | — | — | US | disclosed |
| EP-0869955-A1 | N-ACYL-2-SUBSTITUTED-4-(BENZIMIDAZOLYL- OR IMIDAZOPYRIDINYL-SUBSTITUTED RESIDUES)-PIPERIDINES AS TACHYKININ ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 1998-10-14 | — | — | EP | disclosed |
| WO-1997024350-A1 | N-ACYL-2-SUBSTITUTED-4-(BENZIMIDAZOLYL- OR IMIDAZOPYRIDINYL-SUBSTITUTED RESIDUES)-PIPERIDINES AS TACHYKININ ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 1997-07-10 | — | — | WO | disclosed |