Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1B | P49286 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | IDH1 | O75874 | 1/20 | 0.34 |
| ▸ | PHGDH | O43175 | 1/20 | 0.34 |
| ▸ | TACR3 | P29371 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TRPM8 | Q7Z2W7 | 3/20 | 0.34 |
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8925221 | 1.00 | MTNR1B (0.38) | MTNR1BTP53GAATACR1KDM1A | |
| SCHEMBL9204527 | 0.87 | TACR1 (0.41) | MTNR1BTP53TACR1HPGD | |
| SCHEMBL8939874 | 0.87 | TACR1 (0.41) | MTNR1BTP53TACR1HPGD | |
| SCHEMBL8924315 | 0.86 | HSD17B2 (0.36) | TP53GAATACR1HPGD | |
| SCHEMBL8925754 | 0.86 | HSD17B2 (0.36) | TP53GAATACR1HPGD | |
| SCHEMBL8926452 | 0.85 | P2RX7 (0.41) | — | |
| SCHEMBL8926123 | 0.85 | P2RX7 (0.41) | — | |
| SCHEMBL8926073 | 0.84 | GRIN2C (0.40) | GAATACR1MEN1TSHRKMT2A | |
| SCHEMBL8925866 | 0.84 | GRIN2C (0.40) | GAATACR1MEN1TSHRKMT2A | |
| SCHEMBL9565788 | 0.83 | RHOC (0.48) | TACR1MEN1KMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0532456-B1 | 1-Acylpiperidine derivatives and their use as substance P antagonists | CIBA GEIGY AG (CH) | 1995-03-29 | — | — | EP | claimed |
| EP-0532456-A1 | 1-Acylpiperidine derivatives and their use as substance P antagonists | CIBA-GEIGY AG (CH) | 1993-03-17 | — | — | EP | claimed |
| US-5646144-A | FOR TREATING DISORDERS IN WHICH SUBSTANCE P PLAYS A PART IN DEVELOPMENT | CIBA-GEIGY CORPORATION (US) | 1997-07-08 | — | — | US | disclosed |
| US-5541195-A | SUBSTANCE P ANTAGONISTS | CIBA-GEIGY CORPORATION (US) | 1996-07-30 | — | — | US | disclosed |
| EP-0532456-B1 | 1-Acylpiperidine derivatives and their use as substance P antagonists | CIBA GEIGY AG (CH) | 1995-03-29 | — | — | EP | disclosed |
| US-5310743-A | Substance P antagonist | CIBA-GEIGY CORP. (US) | 1994-05-10 | — | — | US | disclosed |