Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL954862 | 0.80 | CYP3A4 (0.45) | P4HTMHPGDGAAKMT2AMEN1 | |
| SCHEMBL6027891 | 0.78 | KAT6A (0.50) | P4HTMGAAKMT2AKAT6ANPC1 | |
| SCHEMBL3937476 | 0.72 | JAK2 (0.41) | HPGDGAAKMT2AMEN1NPC1 | |
| SCHEMBL3936139 | 0.71 | MEN1 (0.48) | HPGDGAAKMT2AMEN1ALDH1A1 | |
| SCHEMBL10917437 | 0.70 | F2 (0.42) | P4HTMGAAKMT2AMEN1TDP1 | |
| SCHEMBL4703954 | 0.69 | GRM5 (0.53) | P4HTMHPGDKMT2AMEN1TDP1 | |
| SCHEMBL5784304 | 0.69 | KMT2A (0.53) | HPGDKMT2AMEN1TDP1NPC1 | |
| SCHEMBL2802508 | 0.68 | MME (0.38) | GAAALDH1A1MAPTHTTLMNA | |
| SCHEMBL4701525 | 0.68 | GRM5 (0.72) | P4HTMKMT2AMAPTGRM5POLB | |
| SCHEMBL28190255 | 0.67 | GAA (0.64) | HPGDGAAKMT2AMEN1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1651612-A1 | 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS | Astex Therapeutics Limited (GB) | 2006-05-03 | — | — | EP | disclosed |
| WO-2005012256-A1 | 3, 4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS | ASTEX THERAPEUTICS LIMITED (GB) | 2005-02-10 | — | — | WO | disclosed |