Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.41 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.41 |
| ▸ | RARA | P10276 | 1/20 | 0.38 |
| ▸ | RARB | P10826 | 1/20 | 0.38 |
| ▸ | RARG | P13631 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11810345 | 0.80 | RARB (0.44) | RARARARBRARGMAPTL3MBTL1 | |
| SCHEMBL31456579 | 0.77 | RARB (0.53) | ALDH1A1KDM4ETP53HSD17B10CYP3A4 | |
| SCHEMBL5734170 | 0.68 | HSPA9 (0.49) | KDM4EMAPTSMN1; SMN2NPSR1L3MBTL1 | |
| SCHEMBL28286506 | 0.67 | ESR1 (0.59) | ALDH1A1KDM4EHPGDTP53HSD17B10 | |
| SCHEMBL11758571 | 0.67 | ALDH1A1 (0.58) | ALDH1A1KDM4EHPGDTP53HSD17B10 | |
| SCHEMBL16494210 | 0.67 | MRGPRX2 (0.41) | RARARARBRARG | |
| SCHEMBL11754844 | 0.66 | ALDH1A1 (0.61) | ALDH1A1KDM4EHPGDTP53HSD17B10 | |
| SCHEMBL4828375 | 0.66 | NPC1 (0.70) | ALDH1A1KDM4EHPGDTP53MAPT | |
| SCHEMBL15677052 | 0.66 | MAPT (0.38) | ALDH1A1TP53MAPTSMN1; SMN2L3MBTL1 | |
| Hydrochloric Acid SCHEMBL16494285 | 0.66 | MRGPRX2 (0.40) | RARARARBRARG |
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-1216239-A1 | PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 2002-06-26 | — | — | EP | disclosed |
| WO-2001023374-A1 | PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS | SMITHKLINE BEECHAM P.L.C. (GB) | 2001-04-05 | — | — | WO | disclosed |