Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 12/20 | 0.44 |
| ▸ | CNR2 | P34972 | 12/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | PRKCB | P05771 | 2/20 | 0.40 |
| ▸ | GSK3B | P49841 | 2/20 | 0.40 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.40 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL89569 | 0.82 | GSK3B (0.53) | CNR1CNR2ALDH1A1NPC1MAPT | |
| SCHEMBL6090127 | 0.82 | CNR2 (0.50) | CNR1CNR2ALDH1A1NPC1MAPT | |
| SCHEMBL31516345 | 0.78 | CNR1 (0.44) | CNR1CNR2ALDH1A1NPC1MAPT | |
| SCHEMBL6015741 | 0.77 | GSK3B (0.40) | CNR1CNR2ALDH1A1NPC1MAPT | |
| SCHEMBL6015738 | 0.77 | GSK3B (0.40) | CNR1CNR2ALDH1A1NPC1MAPT | |
| SCHEMBL6015969 | 0.73 | CNR2 (0.43) | CNR1CNR2ALDH1A1CDK2 | |
| SCHEMBL19410208 | 0.72 | ALDH1A1 (0.46) | CNR1CNR2ALDH1A1NPC1MAPT | |
| SCHEMBL11697896 | 0.72 | POLB (0.63) | ALDH1A1NPC1MAPTRAB9ALMNA | |
| SCHEMBL6015972 | 0.71 | APP (0.40) | CNR1CNR2ALDH1A1NPC1MAPT | |
| SCHEMBL2491259 | 0.71 | ELANE (0.59) | NPC1RAB9ACCNB2CDK1CCNB1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7060822-B1 | 2-pyrazolin-5-ones | ABBOTT GMBH & CO. KG (DE) | 2006-06-13 | — | — | US | disclosed |
| EP-1218373-A2 | 2-PYRAZOLIN-5-ONES AS TYROSINE KINASE INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001009121-A2 | 2-PYRAZOLIN-5-ONES_AS TYROSINE KINASE INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2001-02-08 | — | — | WO | disclosed |