Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IMPDH2 | P12268 | 2/20 | 0.42 |
| ▸ | STK4 | Q13043 | 1/20 | 0.40 |
| ▸ | STK3 | Q13188 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 5/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.37 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5065086 | 0.74 | IMPDH2 (0.44) | IMPDH2STK4STK3FYNCDK8 | |
| SCHEMBL544598 | 0.71 | MAP4K4 (0.48) | CYP1A2ALDH1A1HSD17B10CLK4 | |
| SCHEMBL3724188 | 0.71 | KDR (0.46) | CYP3A4CHEK1ALDH1A1HSD17B10 | |
| SCHEMBL18613440 | 0.70 | FYN (0.53) | IMPDH2FYNCDK8CYP1A2CYP3A4 | |
| SCHEMBL1925085 | 0.69 | IMPDH2 (0.43) | IMPDH2CDK8CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL21223675 | 0.69 | CYP1A2 (0.42) | IMPDH2FYNCSNK2A1ADORA2ACDK2 | |
| SCHEMBL17555670 | 0.69 | FYN (0.41) | FYNCSNK2A1ADORA2ACCNT1CCNA2 | |
| SCHEMBL17619924 | 0.68 | MAPK14 (0.49) | STK4STK3ADORA2AALDH1A1CLK4 | |
| SCHEMBL9735461 | 0.68 | IKBKB (0.46) | CYP1A2ALDH1A1 | |
| SCHEMBL6487188 | 0.66 | GSK3B (0.57) | CSNK2A1CYP1A2 |
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-4521422-A | ANTICONVULSANT, ANTIEPILEPTIC AGENTS, SEDATIVES, MUSCLE RELAXANTS | AMERICAN CYANAMID COMPANY (US) | 1985-06-04 | — | — | US | disclosed |
| EP-0129847-A2 | Aryl and heteroaryl[7-(aryl and heteroaryl)-pyrazolo-[1,5-a]-pyrimidin-3-yl]methanones | AMERICAN CYANAMID COMPANY (US) | 1985-01-02 | — | — | EP | disclosed |