Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 14/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.43 |
| ▸ | TACR3 | P29371 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7614487 | 0.78 | TACR1 (0.73) | TACR1TACR3 | |
| SCHEMBL8503693 | 0.78 | TACR1 (0.73) | TACR1TACR3 | |
| SCHEMBL5402061 | 0.77 | SIGMAR1 (0.68) | SIGMAR1CHRM2CHRM1CHRM3 | |
| Trifluoroacetic Acid SCHEMBL29964795 | 0.76 | TACR1 (0.39) | TACR1 | |
| SCHEMBL4390012 | 0.75 | DRD4 (0.65) | SIGMAR1CHRM2CHRM1CHRM3 | |
| SCHEMBL6865672 | 0.75 | DRD4 (0.65) | SIGMAR1CHRM2CHRM1CHRM3 | |
| Trifluoroacetic Acid SCHEMBL27418642 | 0.74 | SMYD3 (0.42) | TACR1 | |
| Trifluoroacetic Acid SCHEMBL8924993 | 0.74 | SMYD3 (0.42) | TACR1 | |
| SCHEMBL14549586 | 0.73 | TACR1 (0.50) | TACR1SIGMAR1 | |
| SCHEMBL27480088 | 0.72 | TACR1 (0.43) | TACR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-0532456-A1 | 1-Acylpiperidine derivatives and their use as substance P antagonists | CIBA-GEIGY AG (CH) | 1993-03-17 | — | — | EP | disclosed |