Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 2/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.33 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15221827 | 0.80 | MEN1 (0.55) | PIK3CDMEN1KMT2ACYP3A4ALDH1A1 | |
| SCHEMBL27974840 | 0.76 | TP53 (0.36) | DHFRMAPK1TSHRPDE7AMEN1 | |
| SCHEMBL744320 | 0.76 | FGFR1 (0.42) | DHFRMAPK1TSHRPDE7ACYP3A4 | |
| SCHEMBL13892299 | 0.73 | FGFR1 (0.37) | CYP3A4ALDH1A1CYP1A2CYP2C19MAPT | |
| SCHEMBL744286 | 0.71 | EGFR (0.42) | CYP3A4ALDH1A1CYP1A2CYP2C19MAPT | |
| SCHEMBL762162 | 0.71 | FGFR1 (0.33) | DHFRMAPK1TSHRPIK3CDCYP3A4 | |
| SCHEMBL764040 | 0.71 | FGFR1 (0.39) | CYP3A4ALDH1A1CYP1A2CYP2C19TP53 | |
| SCHEMBL12909127 | 0.71 | PIK3CD (0.43) | MAPK1PIK3CDACVRL1AURKBAURKA | |
| SCHEMBL742979 | 0.69 | LMNA (0.39) | CYP3A4CYP1A2CYP2C19MAPTCYP2D6 | |
| SCHEMBL30942187 | 0.69 | MAP4K4 (0.47) | MAPK1PIK3CDAURKBAURKAIKBKB |
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 |
|---|---|---|---|---|---|---|---|
| US-8138336-B2 | Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase | BAYER HEALTHCARE LLC (US) | 2012-03-20 | — | — | US | disclosed |