Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 7/20 | 0.50 |
| ▸ | CNR1 | P21554 | 6/20 | 0.50 |
| ▸ | GSK3B | P49841 | 9/20 | 0.49 |
| ▸ | PRKCB | P05771 | 6/20 | 0.49 |
| ▸ | PRKCA | P17252 | 3/20 | 0.47 |
| ▸ | PRKCG | P05129 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | SNCA | P37840 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6087986 | 0.82 | CNR1 (0.44) | CNR2CNR1GSK3BPRKCBHDAC3 | |
| SCHEMBL31516345 | 0.82 | CNR1 (0.44) | CNR2CNR1GSK3BPRKCBNPC1 | |
| SCHEMBL89569 | 0.82 | GSK3B (0.53) | CNR2CNR1GSK3BPRKCBPRKCG | |
| SCHEMBL28479263 | 0.77 | ALDH1A1 (0.64) | CNR2CNR1NPC1RAB9AALDH1A1 | |
| SCHEMBL970742 | 0.76 | ALDH1A1 (0.54) | GSK3BNPC1RAB9AALDH1A1MAPT | |
| SCHEMBL6090622 | 0.75 | GSK3B (0.44) | CNR2CNR1GSK3BPRKCBPRKCA | |
| SCHEMBL6090619 | 0.75 | GSK3B (0.44) | CNR2CNR1GSK3BPRKCBPRKCA | |
| SCHEMBL12252047 | 0.75 | APP (0.65) | CNR2CNR1ALDH1A1LMNAMAPT | |
| SCHEMBL6092462 | 0.74 | GSK3B (0.49) | CNR2CNR1GSK3BPRKCBPRKCA | |
| SCHEMBL6092457 | 0.74 | GSK3B (0.49) | CNR2CNR1GSK3BPRKCBPRKCA |
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 5 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 |
| CN-1193026-C | Z-pyrazoline-5-ones | BASF AG (DE) | 2005-03-16 | — | — | CN | disclosed |
| CN-1377346-A | Z-pyrazoline-5-ones | BASF AG (DE) | 2002-10-30 | — | — | CN | 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 |