Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5104902 | 0.88 | POLB (0.46) | CNR1CNR2NPC1LMNARAB9A | |
| SCHEMBL5099056 | 0.76 | MEN1 (0.47) | CNR1CNR2LMNAKMT2AMEN1 | |
| SCHEMBL5103228 | 0.72 | ADORA2A (0.44) | CNR1CNR2NPC1MITFLMNA | |
| SCHEMBL5099539 | 0.71 | HTT (0.63) | CNR1CNR2NPC1MITFLMNA | |
| Hydrochloric Acid SCHEMBL5098239 | 0.71 | ADORA2A (0.43) | CNR1CNR2NPC1MITFLMNA | |
| SCHEMBL13634224 | 0.70 | POLB (0.49) | NPC1LMNARAB9AKMT2AMEN1 | |
| SCHEMBL2770680 | 0.70 | MEN1 (0.46) | NPC1LMNARAB9AKMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL5103337 | 0.70 | HTT (0.61) | CNR1CNR2NPC1MITFLMNA | |
| SCHEMBL2769301 | 0.68 | LMNA (0.47) | NPC1LMNARAB9AKMT2AMEN1 | |
| SCHEMBL13270320 | 0.67 | POLB (0.45) | LMNAKMT2AMEN1POLBCTSB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006003440-A1 | 3,4-DISUBSTITUTED PYRAZOLES AS CYCLIN DEPENDENT KINASES (CDK) OR AURORA KINASE OR GLYCOGEN SYNTHASE 3 (GSK-3) INHIBITORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-01-12 | — | — | WO | disclosed |