Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | TP53 | P04637 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | CYP2E1 | P05181 | 10/20 | 0.46 |
| ▸ | CYP2C8 | P10632 | 10/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 10/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 10/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 10/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29770426 | 0.88 | NPC1 (0.58) | NPC1TP53RAB9AALDH1A1HPGD | |
| SCHEMBL916533 | 0.88 | NPC1 (0.58) | NPC1TP53RAB9AALDH1A1HPGD | |
| SCHEMBL3177762 | 0.87 | ALDH1A1 (0.39) | NPC1TP53RAB9AALDH1A1HPGD | |
| SCHEMBL9148442 | 0.87 | NPC1 (0.56) | NPC1TP53RAB9AALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL28679041 | 0.87 | NPC1 (0.56) | NPC1TP53RAB9AALDH1A1HPGD | |
| Pyrrole SCHEMBL28697664 | 0.80 | RAB9A (0.54) | NPC1TP53RAB9AALDH1A1HPGD | |
| SCHEMBL26189984 | 0.78 | NPC1 (0.40) | NPC1TP53RAB9AALDH1A1HPGD | |
| SCHEMBL917239 | 0.77 | NPC1 (0.61) | NPC1TP53RAB9AALDH1A1HPGD | |
| SCHEMBL9305928 | 0.77 | CBFB (0.56) | NPC1TP53RAB9AALDH1A1HPGD | |
| SCHEMBL17292671 | 0.76 | NPC1 (0.59) | NPC1TP53RAB9AALDH1A1HPGD |
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-1910293-A1 | ISOTOPICALLY SUBSTITUTED PROTON PUMP INHIBITORS | Nycomed GmbH (DE) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007012650-A1 | ISOTOPICALLY SUBSTITUTED PROTON PUMP INHIBITORS | NYCOMED GMBH (DE) | 2007-02-01 | — | — | WO | disclosed |