Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 20/20 | 0.60 |
| ▸ | CACNA1F | O60840 | 3/20 | 0.60 |
| ▸ | CACNA1D | Q01668 | 3/20 | 0.60 |
| ▸ | CACNA1S | Q13698 | 3/20 | 0.60 |
| ▸ | CACNA1C | Q13936 | 3/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL5640483 | 0.75 | TACR1 (0.69) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8873675 | 0.75 | TACR1 (1.00) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8936919 | 0.75 | TACR1 (1.00) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| Hydrochloric Acid SCHEMBL1877005 | 0.74 | TACR1 (0.67) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| Hydrochloric Acid SCHEMBL1875759 | 0.74 | TACR1 (0.71) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL9317425 | 0.73 | TACR1 (0.57) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| Hydrochloric Acid SCHEMBL1876834 | 0.72 | TACR1 (0.67) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL20912025 | 0.72 | IDO1 (0.55) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8827053 | 0.72 | TACR1 (1.00) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8151052 | 0.72 | TACR1 (1.00) | TACR1CACNA1FCACNA1DCACNA1SCACNA1C |
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 2 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 | 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 |