Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CASP6 | P55212 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 5/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | FABP7 | O15540 | 1/20 | 0.38 |
| ▸ | FABP3 | P05413 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29443025 | 0.82 | AKR1C3 (0.50) | MCL1AKR1C3AKR1C1NPC1RAB9A | |
| SCHEMBL289302 | 0.82 | AKR1C3 (0.50) | MCL1AKR1C3AKR1C1NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL1371854 | 0.80 | AKR1C3 (0.48) | MCL1AKR1C3AKR1C1IDO1NPC1 | |
| SCHEMBL7352959 | 0.80 | AKR1C3 (0.48) | MCL1AKR1C3AKR1C1NPC1RAB9A | |
| SCHEMBL7352952 | 0.80 | AKR1C3 (0.48) | MCL1AKR1C3AKR1C1NPC1RAB9A | |
| SCHEMBL10617785 | 0.78 | MTNR1A (0.44) | MCL1AKR1C3AKR1C1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL29972527 | 0.77 | HASPIN (0.40) | MEN1KMT2AMAPTKDM4EALDH1A1 | |
| SCHEMBL2246351 | 0.77 | SMN1; SMN2 (0.55) | MCL1AKR1C3AKR1C1NPC1RAB9A | |
| SCHEMBL11359606 | 0.74 | ATM (0.50) | POLBAKR1C3AKR1C1MEN1KMT2A | |
| SCHEMBL6990855 | 0.74 | KDM4E (0.57) | MCL1MAPTKDM4EALDH1A1GAA |
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-0945438-B1 | PYRAZOLE DERIVATIVES | BANYU PHARMA CO LTD (JP) | 2003-03-05 | — | — | EP | disclosed |
| US-6057335-A | Pyrazole derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2000-05-02 | — | — | US | disclosed |
| EP-0945438-A1 | PYRAZOLE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1999-09-29 | — | — | EP | disclosed |