Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 4/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.33 |
| ▸ | NPY1R | P25929 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9141321 | 0.87 | TACR1 (0.73) | TACR1KDM4ELMNAPOLBHPGD | |
| SCHEMBL8548123 | 0.87 | TACR1 (0.73) | TACR1KDM4ELMNAPOLBHPGD | |
| SCHEMBL8894433 | 0.87 | TACR1 (0.73) | TACR1KDM4ELMNAPOLBHPGD | |
| SCHEMBL8874393 | 0.82 | TACR1 (0.78) | TACR1KDM4ELMNAPOLBHPGD | |
| SCHEMBL8956796 | 0.80 | TACR1 (0.68) | TACR1KDM4EALDH1A1GRIN2BTSHR | |
| SCHEMBL8650560 | 0.79 | TACR1 (0.59) | TACR1KDM4ELMNAPOLBHPGD | |
| SCHEMBL15678894 | 0.77 | TACR1 (0.70) | TACR1KDM4ELMNAPOLBHPGD | |
| SCHEMBL29373653 | 0.76 | TACR1 (0.63) | TACR1KDM4ELMNAPOLBHPGD | |
| SCHEMBL8875760 | 0.76 | TACR1 (0.63) | TACR1KDM4ELMNAPOLBHPGD | |
| SCHEMBL8652171 | 0.75 | TACR1 (0.73) | TACR1KDM4ELMNAPOLBHPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999007413-A1 | SUBSTANCE P INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN | ALGOS PHARMACEUTICAL CORPORATION (US) | 1999-02-18 | — | — | WO | claimed |
| EP-0711280-B1 | PERHYDROISOINDOLE DERIVATIVES AS P SUBSTANCE ANTAGONISTS | RHONE POULENC RORER SA (FR) | 1998-09-23 | — | — | EP | claimed |
| US-5624950-A | USEFUL IN TREATMENT OF ANALGESIA, INFLAMMATION, ASTHMA, ALLERGIES, CENTRAL NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS, IMMUNE SYSTEM DISORDERS, ANTISPASMODIC AGENTS, ANTIEMETIC AGENTS | RHONE-POULENC RORER S.A. (FR) | 1997-04-29 | — | — | US | claimed |
| WO-1999007413-A1 | SUBSTANCE P INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN | ALGOS PHARMACEUTICAL CORPORATION (US) | 1999-02-18 | — | — | WO | disclosed |
| US-5624950-A | USEFUL IN TREATMENT OF ANALGESIA, INFLAMMATION, ASTHMA, ALLERGIES, CENTRAL NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS, IMMUNE SYSTEM DISORDERS, ANTISPASMODIC AGENTS, ANTIEMETIC AGENTS | RHONE-POULENC RORER S.A. (FR) | 1997-04-29 | — | — | US | disclosed |