Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.50 |
| ▸ | MDH1 | P40925 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.50 |
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.45 |
| ▸ | SYK | P43405 | 13/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9370486 | 1.00 | ADRA2A (0.50) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL9374248 | 0.88 | ADRA2A (0.51) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL9373901 | 0.87 | ADRA2A (0.49) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL9539638 | 0.84 | ADRA2A (0.70) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL8923216 | 0.84 | ADRA2A (0.70) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL9370616 | 0.80 | HRH4 (0.55) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL9373989 | 0.79 | ADRA2A (0.57) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL9370195 | 0.79 | ADRA2A (0.56) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL9369809 | 0.78 | ADRA2A (0.55) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL9376389 | 0.78 | ADRA2A (0.55) | ADRA2AADORA3CHRM1MAOATBXA2R |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0594702-A1 | SUBSTITUTED INDOLES AS ANTI-AIDS PHARMACEUTICALS. | UPJOHN CO (US) | 1994-05-04 | — | — | EP | claimed |