Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 1/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.54 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.54 |
| ▸ | MDH1 | P40925 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.54 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 5/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.37 |
| ▸ | IDH1 | O75874 | 1/20 | 0.37 |
| ▸ | TNFSF11 | O14788 | 1/20 | 0.36 |
| ▸ | TNF | P01375 | 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 | |
|---|---|---|---|---|
| SCHEMBL9038498 | 0.89 | ADRA2A (0.55) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL5197662 | 0.88 | ADRA2A (0.70) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL9036267 | 0.87 | ADRA2A (0.53) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL8985916 | 0.87 | ADRA2A (0.53) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL9037116 | 0.86 | ADRA2A (0.53) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL5109661 | 0.86 | ADRA2A (0.53) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL9036400 | 0.86 | ADRA2A (0.53) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL8923192 | 0.86 | ADRA2A (0.52) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL9037801 | 0.85 | GFER (0.55) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL8921452 | 0.85 | ADRA2A (0.58) | 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-0755393-B1 | NOVEL CRYSTAL FORMS OF 1-[5-METHANESULFONAMIDOINDOLYL-2-CARBONYL]-4- 3-(1-METHYLETHYLAMINO)-2-PYRIDINYL]PIPERAZINE | UPJOHN CO (US) | 2001-10-24 | — | — | EP | disclosed |