Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 11/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 10/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 10/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | HBB | P68871 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 6/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7973444 | 0.85 | RPS6KB1 (0.47) | EGFRRPS6KB1CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL18806442 | 0.73 | MAPT (0.35) | EGFRMEN1KMT2A | |
| SCHEMBL168410 | 0.73 | KDM4E (0.49) | EGFRRPS6KB1CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL8127484 | 0.71 | EGFR (0.50) | EGFRRPS6KB1CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL9723536 | 0.71 | ADRA2A (0.37) | CYP2C19CYP1A2CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL8422447 | 0.68 | CYP2C19 (0.53) | CYP2C19CYP1A2CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL27855323 | 0.68 | TAAR1 (0.53) | CYP2C19CYP1A2ALDH1A1TSHRLMNA | |
| SCHEMBL28549223 | 0.65 | CYP1A2 (0.42) | CYP2C19CYP1A2CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL8132510 | 0.65 | LMNA (0.53) | EGFRRPS6KB1ALDH1A1TSHRLMNA | |
| SCHEMBL29957104 | 0.65 | CXCR1 (0.52) | CYP2C19ALDH1A1TSHRLMNATAAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2001517226-A | — | — | 2001-10-02 | — | — | JP | claimed |
| EP-0971925-A1 | PYRIMIDOPYRIMIDINE COMPOUNDS | NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) | 2000-01-19 | — | — | EP | claimed |
| WO-1998043974-A1 | PYRIMIDOPYRIMIDINE COMPOUNDS | NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) | 1998-10-08 | — | — | WO | claimed |