Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNA2 | P20248 | 2/20 | 0.46 |
| ▸ | CDK2 | P24941 | 2/20 | 0.46 |
| ▸ | IGF1R | P08069 | 3/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 4/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | BCL6 | P41182 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1165046 | 0.92 | CDK2 (0.46) | CCNA2CDK2IGF1RGABRA5NTRK1 | |
| SCHEMBL12784562 | 0.91 | CCNA2 (0.46) | CCNA2CDK2IGF1RGABRA5NTRK1 | |
| SCHEMBL12784477 | 0.88 | CCNA2 (0.44) | CCNA2CDK2IGF1RNTRK1ROCK2 | |
| SCHEMBL12784175 | 0.85 | CCNA2 (0.50) | CCNA2CDK2IGF1RNTRK1 | |
| SCHEMBL1164333 | 0.85 | CCNA2 (0.50) | CCNA2CDK2IGF1RNTRK1KDM4E | |
| SCHEMBL12784539 | 0.85 | CCNA2 (0.49) | CCNA2CDK2IGF1RNTRK1 | |
| Hydrochloric Acid SCHEMBL1164778 | 0.84 | CCNA2 (0.49) | CCNA2CDK2IGF1RNTRK1 | |
| SCHEMBL1164470 | 0.83 | CCNA2 (0.46) | CCNA2CDK2IGF1RNTRK1 | |
| SCHEMBL15809864 | 0.81 | CCNA2 (0.46) | CCNA2CDK2IGF1RNTRK1MAPT | |
| SCHEMBL12784204 | 0.80 | CCNA2 (0.47) | CCNA2CDK2IGF1RNTRK1 |
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-2464641-B1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | VERTEX PHARMA (US) | 2014-06-25 | — | — | EP | disclosed |
| WO-2011019405-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-02-17 | — | — | WO | disclosed |