Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 19/20 | 0.64 |
| ▸ | TACR2 | P21452 | 1/20 | 0.41 |
| ▸ | TACR3 | P29371 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8936904 | 0.93 | TACR1 (0.63) | TACR1TACR2TACR3 | |
| SCHEMBL8936871 | 0.72 | TACR1 (0.45) | TACR1 | |
| SCHEMBL8936863 | 0.72 | TACR1 (0.45) | TACR1 | |
| SCHEMBL8936911 | 0.71 | TACR1 (0.80) | TACR1 | |
| SCHEMBL8936828 | 0.70 | TACR1 (0.38) | TACR1 | |
| SCHEMBL8936931 | 0.70 | TACR1 (0.40) | TACR1 | |
| SCHEMBL8324985 | 0.69 | TACR1 (0.55) | TACR1TACR2TACR3 | |
| SCHEMBL8936928 | 0.68 | TACR1 (1.00) | TACR1 | |
| SCHEMBL8936838 | 0.67 | TACR1 (0.80) | TACR1 | |
| SCHEMBL8936927 | 0.67 | TACR1 (0.80) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5494926-A | ANTIINFLAMMATORY AGENT, ANTIARTHRITIC AGENT; TREATING PAIN, HEADACHE | MERCK SHARP & DOHME LTD. (GB) | 1996-02-27 | — | — | US | claimed |
| WO-1993024465-A1 | 2/3-(HETEROCYCLIC ALKYL AMINO)-1-(SUBST.-PHENYL-METHOXY)-ETHANES/PROPANES AS TACHYKININ-RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1993-12-09 | — | — | WO | claimed |
| US-5494926-A | ANTIINFLAMMATORY AGENT, ANTIARTHRITIC AGENT; TREATING PAIN, HEADACHE | MERCK SHARP & DOHME LTD. (GB) | 1996-02-27 | — | — | US | disclosed |
| WO-1993024465-A1 | 2/3-(HETEROCYCLIC ALKYL AMINO)-1-(SUBST.-PHENYL-METHOXY)-ETHANES/PROPANES AS TACHYKININ-RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1993-12-09 | — | — | WO | disclosed |