Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 5/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 3/20 | 0.32 |
| ▸ | AURKA | O14965 | 2/20 | 0.32 |
| ▸ | NTRK3 | Q16288 | 2/20 | 0.32 |
| ▸ | NTRK2 | Q16620 | 2/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | RET | P07949 | 1/20 | 0.32 |
| ▸ | IGF1R | P08069 | 1/20 | 0.32 |
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 | 0.82 | CDK2 (0.46) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL12784885 | 0.76 | CCNA2 (0.64) | CCNA2CDK2NTRK1IGF1R | |
| SCHEMBL12878562 | 0.74 | CCNA2 (0.46) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL12784562 | 0.74 | CCNA2 (0.46) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL12784539 | 0.68 | CCNA2 (0.49) | CCNA2CDK2NTRK1IGF1R | |
| SCHEMBL12784877 | 0.67 | CCNA2 (0.59) | CCNA2CDK2NTRK1IGF1R | |
| SCHEMBL12784175 | 0.66 | CCNA2 (0.50) | CCNA2CDK2NTRK1IGF1R | |
| Hydrochloric Acid SCHEMBL1164778 | 0.65 | CCNA2 (0.49) | CCNA2CDK2NTRK1IGF1R | |
| SCHEMBL1164333 | 0.64 | CCNA2 (0.50) | ALDH1A1KDM4ECCNA2CDK2NTRK1 | |
| SCHEMBL1164470 | 0.64 | CCNA2 (0.46) | CCNA2CDK2NTRK1IGF1R |
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-2011019405-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-02-17 | — | — | WO | disclosed |