Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.55 |
| ▸ | MAPT | P10636 | 6/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.55 |
| ▸ | HPGD | P15428 | 5/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.50 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 4/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL31429289 | 0.86 | NPC1 (0.46) | ALDH1A1KDM4EMAPTHSD17B10HPGD | |
| SCHEMBL9587543 | 0.84 | JMJD6 (0.59) | ALDH1A1KDM4EMAPTHSD17B10HPGD | |
| SCHEMBL1738694 | 0.84 | ALDH1A1 (0.46) | ALDH1A1KDM4EMAPTHSD17B10HPGD | |
| SCHEMBL20028441 | 0.83 | TARBP2 (0.46) | ALDH1A1KDM4EMAPTHSD17B10HPGD | |
| SCHEMBL11763000 | 0.79 | NPC1 (0.53) | ALDH1A1KDM4EMAPTHSD17B10HPGD | |
| SCHEMBL11765664 | 0.79 | NPC1 (0.67) | ALDH1A1KDM4EMAPTHSD17B10LMNA | |
| SCHEMBL26077043 | 0.79 | SMN1; SMN2 (0.51) | ALDH1A1KDM4EMAPTHSD17B10HPGD | |
| SCHEMBL29043977 | 0.78 | ALDH1A1 (0.49) | ALDH1A1KDM4EMAPTHSD17B10HPGD | |
| SCHEMBL20027638 | 0.78 | MAPK1 (0.60) | ALDH1A1KDM4EMAPTHSD17B10MEN1 | |
| SCHEMBL3677606 | 0.77 | NPC1 (0.50) | ALDH1A1KDM4EMAPTHSD17B10HPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2390252-A1 | New pyrazole derivatives | Almirall, S.A. (ES) | 2011-11-30 | — | — | EP | disclosed |
| EP-2390252-A1 | New pyrazole derivatives | Almirall, S.A. (ES) | 2011-11-30 | — | — | EP | disclosed |
| WO-2011144338-A1 | PYRAZOLE DERIVATIVES AS S1P1 AGONISTS | ALMIRALL, S.A. (ES) | 2011-11-24 | — | — | WO | disclosed |
| WO-2011144338-A1 | PYRAZOLE DERIVATIVES AS S1P1 AGONISTS | ALMIRALL, S.A. (ES) | 2011-11-24 | — | — | WO | disclosed |