Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.33 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | CCND1 | P24385 | 1/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12835064 | 0.82 | CCNB2 (0.37) | CYP1A2CCNB2CCNE2CDK1CDK4 | |
| SCHEMBL13013362 | 0.82 | ALDH1A1 (0.34) | CYP1A2CCNB2CCNE2CDK1CDK4 | |
| SCHEMBL3184120 | 0.80 | CYP2C19 (0.48) | CYP1A2CCNB2CCNE2CDK1CDK4 | |
| Bromide SCHEMBL3184112 | 0.78 | CYP2C19 (0.47) | CYP1A2CCNB2CCNE2CDK1CDK4 | |
| SCHEMBL10198756 | 0.77 | — | — | |
| SCHEMBL2502740 | 0.77 | CCNB2 (0.39) | CYP1A2CCNB2CCNE2CDK1CDK4 | |
| SCHEMBL2445178 | 0.76 | ALDH1A1 (0.59) | CYP1A2HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL28498899 | 0.74 | CYP2D6 (0.33) | CYP1A2CCNB2CCNE2CDK1CDK4 | |
| SCHEMBL2086711 | 0.72 | DGAT1 (0.37) | ALDH1A1MAOAMAOBCYP2D6 | |
| SCHEMBL29080281 | 0.72 | CCNB2 (0.37) | CYP1A2CCNB2CCNE2CDK1CDK4 |
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-2005089764-A9 | CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS | PTC THERAPEUTICS INC (US) | 2007-09-13 | — | — | WO | disclosed |