Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.71 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.65 |
| ▸ | HPGD | P15428 | 1/20 | 0.65 |
| ▸ | MAPT | P10636 | 3/20 | 0.63 |
| ▸ | NPC1 | O15118 | 3/20 | 0.62 |
| ▸ | RAB9A | P51151 | 3/20 | 0.62 |
| ▸ | MEN1 | O00255 | 3/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.62 |
| ▸ | GAA | P10253 | 2/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | AHR | P35869 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL29757951 | 1.00 | ALDH1A1 (0.71) | ALDH1A1CYP1A1CYP1A2CYP1B1HPGD | |
| SCHEMBL167053 | 0.86 | GAA (0.67) | ALDH1A1HPGDMAPTNPC1RAB9A | |
| SCHEMBL18415558 | 0.86 | ALDH1A1 (0.75) | ALDH1A1CYP1A1CYP1A2CYP1B1HPGD | |
| SCHEMBL5833241 | 0.84 | ALDH1A1 (0.73) | ALDH1A1CYP1A1CYP1A2CYP1B1HPGD | |
| SCHEMBL30622065 | 0.84 | HSD17B1 (0.75) | ALDH1A1CYP1A1CYP1A2CYP1B1HPGD | |
| SCHEMBL11660515 | 0.84 | ALDH1A1 (0.73) | ALDH1A1CYP1A1CYP1A2CYP1B1HPGD | |
| SCHEMBL2191052 | 0.84 | HSD17B1 (0.75) | ALDH1A1CYP1A1CYP1A2CYP1B1HPGD | |
| SCHEMBL4634999 | 0.84 | NPC1 (0.59) | ALDH1A1CYP1A1CYP1A2CYP1B1HPGD | |
| SCHEMBL30945495 | 0.83 | ALDH1A1 (0.61) | ALDH1A1CYP1A1CYP1A2CYP1B1HPGD | |
| SCHEMBL10506942 | 0.83 | EPHX1 (0.61) | ALDH1A1HPGDMAPTNPC1RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1845978-A1 | SUBSTITUTED PYRAZOLO-PYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE | Aventis Pharma S.A. (FR) | 2007-10-24 | — | — | EP | disclosed |
| WO-2006077319-A1 | SUBSTITUTED PYRAZOLO-PYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE | AVENTIS PHARMA S.A. (FR) | 2006-07-27 | — | — | WO | disclosed |
| US-5780483-A | IL-8 receptor antagonists | SMITHKLINE BEECHAM CORPORATION (US) | 1998-07-14 | — | — | US | disclosed |