Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 11/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.42 |
| ▸ | RHOA | P61586 | 5/20 | 0.41 |
| ▸ | RHOC | P08134 | 3/20 | 0.41 |
| ▸ | TACR2 | P21452 | 3/20 | 0.41 |
| ▸ | TACR3 | P29371 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6440125 | 0.90 | NPC1 (0.46) | TACR1NPC1RAB9AATMHSD11B1 | |
| SCHEMBL6440129 | 0.90 | NPC1 (0.46) | TACR1NPC1RAB9AATMHSD11B1 | |
| SCHEMBL5918177 | 0.86 | TACR1 (0.43) | TACR1NPC1RAB9AATMHSD11B1 | |
| SCHEMBL6441184 | 0.86 | RHOA (0.45) | TACR1NPC1RAB9AATMHSD11B1 | |
| SCHEMBL6439779 | 0.86 | TACR1 (0.43) | TACR1NPC1RAB9AATMHSD11B1 | |
| SCHEMBL5918155 | 0.83 | HSD11B1 (0.44) | TACR1NPC1RAB9AATMHSD11B1 | |
| SCHEMBL6439954 | 0.83 | SLC18A3 (0.44) | TACR1NPC1RAB9AATMHSD11B1 | |
| SCHEMBL5802584 | 0.83 | TACR1 (0.47) | TACR1HSD11B1RHOARHOCTACR2 | |
| SCHEMBL5918148 | 0.83 | TACR1 (0.47) | TACR1HSD11B1RHOARHOCTACR2 | |
| SCHEMBL6439955 | 0.83 | SLC18A3 (0.44) | TACR1NPC1RAB9AATMHSD11B1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1360184-B1 | PIPERIDINE DERIVATIVES AS NEUROKININ 1 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2005-03-30 | — | — | EP | disclosed |