Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | MDH1 | P40925 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 12/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 7/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9095445 | 0.82 | ADRA2A (0.49) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL8794176 | 0.82 | ADRA2A (0.37) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL8791725 | 0.81 | ALDH1A1 (0.44) | POLBTDP1ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL9093088 | 0.81 | POLB (0.37) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL9037336 | 0.80 | CCR5 (0.47) | POLBCHRM2TPSAB1 | |
| SCHEMBL9289615 | 0.79 | ADRA2A (0.47) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL9092935 | 0.79 | ADRA2A (0.42) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL8795125 | 0.79 | TNFSF11 (0.49) | — | |
| SCHEMBL9539614 | 0.78 | ADRA2A (0.58) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL9093563 | 0.78 | ADRA2A (0.46) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0594702-B1 | SUBSTITUTED INDOLES AS ANTI-AIDS PHARMACEUTICALS | UPJOHN CO (US) | 1997-01-29 | — | — | EP | claimed |
| WO-1993001181-A1 | SUBSTITUTED INDOLES AS ANTI-AIDS PHARMACEUTICALS | THE UPJOHN COMPANY (US) | 1993-01-21 | — | — | WO | claimed |