Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.55 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.52 |
| ▸ | MDH1 | P40925 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.52 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 3/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8793755 | 0.87 | ADRA2A (0.55) | HRH4OPRM1ADRA2AADORA3CHRM1 | |
| SCHEMBL12423824 | 0.85 | OPRM1 (0.70) | HRH4OPRM1ADRA2AADORA3CHRM1 | |
| SCHEMBL8793814 | 0.83 | ADRA2A (0.75) | OPRM1ADRA2AADORA3CHRM1MAOA | |
| SCHEMBL8794312 | 0.83 | HRH4 (0.49) | HRH4OPRM1ADRA2AADORA3CHRM1 | |
| SCHEMBL9370906 | 0.80 | HRH4 (0.56) | HRH4OPRM1ADRA2AADORA3CHRM1 | |
| SCHEMBL8922916 | 0.80 | ADRA2A (0.60) | HRH4OPRM1ADRA2AADORA3CHRM1 | |
| SCHEMBL8924496 | 0.79 | ADRA2A (0.58) | HRH4OPRM1ADRA2AADORA3CHRM1 | |
| SCHEMBL8796610 | 0.79 | ADRA2A (0.63) | HRH4OPRM1ADRA2AADORA3CHRM1 | |
| SCHEMBL8922978 | 0.76 | TNFSF11 (0.57) | HTTTRPV1KMT2A | |
| SCHEMBL2818013 | 0.75 | ADRA2A (0.58) | HRH4OPRM1ADRA2AADORA3CHRM1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5599930-A | Substituted indoles as anti-AIDS pharmaceuticals | THE UPJOHN COMPANY (US) | 1997-02-04 | — | — | US | disclosed |
| EP-0594702-B1 | SUBSTITUTED INDOLES AS ANTI-AIDS PHARMACEUTICALS | UPJOHN CO (US) | 1997-01-29 | — | — | EP | disclosed |
| WO-1993001181-A1 | SUBSTITUTED INDOLES AS ANTI-AIDS PHARMACEUTICALS | THE UPJOHN COMPANY (US) | 1993-01-21 | — | — | WO | disclosed |