Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | TACR1 | P25103 | 2/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | KMO | O15229 | 1/20 | 0.43 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | PNMT | P11086 | 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 | |
|---|---|---|---|---|
| SCHEMBL7815536 | 0.88 | SIGMAR1 (0.43) | KMOSIGMAR1MEN1KMT2APNMT | |
| SCHEMBL7811353 | 0.86 | MEN1 (0.46) | HPGDMEN1KMT2A | |
| SCHEMBL7811346 | 0.85 | HPGD (0.47) | HPGDCA12CA9TACR1HSP90AA1 | |
| SCHEMBL7803137 | 0.84 | ALDH1A1 (0.47) | KMOMEN1KMT2ASLC6A4SLC6A2 | |
| SCHEMBL7802833 | 0.84 | TACR1 (0.43) | TACR1HSP90AA1MEN1KMT2APNMT | |
| SCHEMBL6973686 | 0.84 | MEN1 (0.50) | MEN1KMT2ATDP1NPC1SLC6A4 | |
| SCHEMBL7802970 | 0.83 | TACR1 (0.50) | TACR1 | |
| SCHEMBL7807547 | 0.81 | KDM4E (0.44) | HSP90AA1MEN1KMT2A | |
| SCHEMBL7803022 | 0.77 | PNMT (0.41) | MEN1KMT2APNMT | |
| SCHEMBL7811272 | 0.77 | CDK8 (0.40) | TACR1MEN1KMT2ANPC1RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0773929-B1 | PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS | SCHERING CORP (US) | 2001-10-31 | — | — | EP | disclosed |
| US-5654316-A | Piperidine derivatives as neurokinin antagonists | SCHERING CORPORATION (US) | 1997-08-05 | — | — | US | disclosed |