Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 4/20 | 0.50 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.50 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.41 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.41 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8980620 | 0.90 | PLA2G1B (0.46) | ABCB1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL8980619 | 0.84 | ALDH1A1 (0.54) | ABCB1ABCG2MRGPRX4NPC1RAB9A | |
| SCHEMBL1387999 | 0.82 | ALDH1A1 (0.61) | ABCB1ABCG2MRGPRX4NPC1RAB9A | |
| SCHEMBL8980684 | 0.81 | ALDH1A1 (0.54) | MEN1KMT2AALDH1A1 | |
| SCHEMBL8980585 | 0.77 | ABCB1 (0.52) | ABCB1MRGPRX4NPC1RAB9AHTR1A | |
| Water SCHEMBL8980731 | 0.77 | KDM4E (0.47) | ABCB1NPC1RAB9APLA2G1BATG4B | |
| SCHEMBL1229784 | 0.74 | CA12 (0.52) | ABCB1ABCG2MEN1KMT2ACA12 | |
| SCHEMBL8980720 | 0.73 | ENPP2 (0.54) | NPC1RAB9AALDH1A1HTR1AADRA1A | |
| SCHEMBL8980613 | 0.73 | ALDH1A1 (0.59) | ABCB1NPC1RAB9AKMT2AALDH1A1 | |
| SCHEMBL27738026 | 0.71 | TSHR (0.44) | KMT2ACA1CA2ALDH1A1 |
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-0711288-A1 | PIPERAZINE DERIVATIVES AS ALPHA 1A-ADRENERGIC RECEPTOR ANTAGONISTS | RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) | 1996-05-15 | — | — | EP | disclosed |
| WO-1995004049-A1 | PIPERAZINE DERIVATIVES AS α1A-ADRENERGIC RECEPTOR ANTAGONISTS | RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) | 1995-02-09 | — | — | WO | disclosed |