Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 1/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.55 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.55 |
| ▸ | MAOA | P21397 | 1/20 | 0.55 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.55 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.55 |
| ▸ | MDH1 | P40925 | 1/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.55 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.55 |
| ▸ | SYK | P43405 | 13/20 | 0.47 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 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 | |
|---|---|---|---|---|
| SCHEMBL8794793 | 0.88 | HRH4 (0.46) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL6366568 | 0.86 | ADRA2A (0.57) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL9092557 | 0.85 | HTR6 (0.40) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL8794312 | 0.85 | HRH4 (0.49) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL8793814 | 0.84 | ADRA2A (0.75) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL1981900 | 0.83 | ADRA2A (0.57) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL9092554 | 0.81 | ADRA2A (0.37) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL9542256 | 0.80 | ADRA2A (0.61) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL9539614 | 0.79 | ADRA2A (0.58) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL9542253 | 0.78 | ADRA2A (0.57) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1993001181-A1 | SUBSTITUTED INDOLES AS ANTI-AIDS PHARMACEUTICALS | THE UPJOHN COMPANY (US) | 1993-01-21 | — | — | WO | claimed |
| US-5686610-A | Pyridyl piperazine compound | PHARMACIA & UPJOHN COMPANY (US) | 1997-11-11 | — | — | US | disclosed |
| 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 |