Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.71 |
| ▸ | RAB9A | P51151 | 5/20 | 0.67 |
| ▸ | HTT | P42858 | 3/20 | 0.67 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.63 |
| ▸ | HPGD | P15428 | 3/20 | 0.59 |
| ▸ | NPC1 | O15118 | 4/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.53 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.51 |
| ▸ | RELA | Q04206 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8699832 | 0.89 | ALDH1A1 (0.73) | ALDH1A1RAB9AHTTNPSR1KDM4E | |
| SCHEMBL8693125 | 0.87 | ALDH1A1 (0.70) | ALDH1A1RAB9AHTTNPSR1KDM4E | |
| SCHEMBL13975009 | 0.84 | ALDH1A1 (0.77) | ALDH1A1RAB9AHTTNPSR1KDM4E | |
| SCHEMBL8696906 | 0.83 | NPC1 (0.59) | ALDH1A1RAB9AHTTNPSR1KDM4E | |
| SCHEMBL3516960 | 0.82 | ALDH1A1 (0.74) | ALDH1A1RAB9AHTTNPSR1KDM4E | |
| SCHEMBL7934013 | 0.82 | ALDH1A1 (0.79) | ALDH1A1RAB9AHTTNPSR1KDM4E | |
| SCHEMBL4158508 | 0.82 | ALDH1A1 (0.79) | ALDH1A1RAB9AHTTNPSR1KDM4E | |
| SCHEMBL9010473 | 0.82 | ALDH1A1 (0.79) | ALDH1A1RAB9AHTTNPSR1KDM4E | |
| SCHEMBL8696284 | 0.80 | ALDH1A1 (0.72) | ALDH1A1RAB9AHTTNPSR1KDM4E | |
| SCHEMBL13235027 | 0.79 | ALDH1A1 (0.65) | ALDH1A1RAB9AHTTNPSR1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-5849779-A | Pyrazole derivatives and their pharmaceutical use | JAPAN ENERGY CORPORATION (JP) | 1998-12-15 | — | — | US | disclosed |
| EP-0810217-A1 | Pyrazole derivatives and their pharmaceutical use as smooth muscle cell growth inhibitors | JAPAN ENERGY CORPORATION (JP) | 1997-12-03 | — | — | EP | disclosed |