Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 20/20 | 0.73 |
| ▸ | TACR2 | P21452 | 3/20 | 0.63 |
| ▸ | TACR3 | P29371 | 3/20 | 0.63 |
| ▸ | CCR5 | P51681 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8521990 | 0.99 | TACR1 (0.72) | TACR1TACR2TACR3CCR5 | |
| SCHEMBL4630118 | 0.85 | TACR1 (0.53) | TACR1TACR2TACR3CCR5 | |
| SCHEMBL7306896 | 0.84 | TACR1 (1.00) | TACR1TACR2TACR3CCR5 | |
| Hydrochloric Acid SCHEMBL7751634 | 0.84 | TACR1 (0.98) | TACR1TACR2TACR3CCR5 | |
| Hydrochloric Acid SCHEMBL7749184 | 0.83 | TACR1 (0.51) | TACR1TACR2TACR3CCR5 | |
| SCHEMBL8296368 | 0.83 | TACR1 (0.50) | TACR1TACR2TACR3CCR5 | |
| SCHEMBL8991959 | 0.82 | TACR1 (0.63) | TACR1TACR2TACR3CCR5 | |
| SCHEMBL22901986 | 0.82 | TACR1 (0.63) | TACR1TACR2TACR3CCR5 | |
| Hydrochloric Acid SCHEMBL8840357 | 0.81 | TACR1 (0.62) | TACR1TACR2TACR3CCR5 | |
| SCHEMBL7814228 | 0.81 | TACR1 (1.00) | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1999007413-A1 | SUBSTANCE P INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN | ALGOS PHARMACEUTICAL CORPORATION (US) | 1999-02-18 | — | — | WO | claimed |
| JP-5186425-A | — | — | None | — | — | JP | disclosed |
| EP-0512901-B1 | Aminated polycyclic compounds and their enantiomers, process for their preparation and pharmaceutical compositions containing them | SANOFI SA (FR) | 1999-06-23 | — | — | EP | disclosed |
| WO-1999007413-A1 | SUBSTANCE P INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN | ALGOS PHARMACEUTICAL CORPORATION (US) | 1999-02-18 | — | — | WO | disclosed |
| EP-0723959-A1 | Heterocyclic compounds as tachykinin receptor antagonists, process for their preparation and pharmaceuticals containing them | SANOFI (FR) | 1996-07-31 | — | — | EP | disclosed |
| JP-H05186425-A | POLYCYCLIC AMINE COMPOUND, ITS ENANTIOMER, ITS PREPARATION AND PHARMACEUTIC COMPOSITION CONTAINING THOSE | ELF SANOFI | 1993-07-27 | — | — | JP | disclosed |
| EP-0512901-A1 | Aminated polycyclic compounds and their enantiomers, process for their preparation and pharmaceutical compositions containing them | SANOFI (FR) | 1992-11-11 | — | — | EP | disclosed |