Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 6/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | MPI | P34949 | 1/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.45 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4741268 | 0.82 | TYMS (0.57) | TYMSKDM4EALDH1A1MAPTMPI | |
| SCHEMBL4741122 | 0.80 | TYMS (0.55) | TYMSKDM4EALDH1A1MAPTMPI | |
| SCHEMBL6652286 | 0.77 | TYMS (1.00) | TYMS | |
| SCHEMBL4739002 | 0.77 | TYMS (0.51) | TYMSKDM4EALDH1A1MAPTMPI | |
| Hydrochloric Acid SCHEMBL6844303 | 0.76 | TYMS (0.98) | TYMS | |
| SCHEMBL4787478 | 0.75 | TYMS (0.49) | TYMSKDM4EALDH1A1MAPTMPI | |
| SCHEMBL14148121 | 0.73 | TYMS (0.63) | TYMSHSP90AA1HSP90AB1CYP19A1CYP11B2 | |
| SCHEMBL14148428 | 0.73 | TYMS (0.51) | TYMS | |
| SCHEMBL4741224 | 0.73 | HRH3 (0.53) | TYMSKDM4EALDH1A1MAPTHSP90AA1 | |
| SCHEMBL4740434 | 0.71 | ADORA2A (0.51) | TYMSKDM4EALDH1A1MAPTHTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008086158-A1 | BENZODIHYDROQUINAZOLINE AS PI3 KINASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-07-17 | — | — | WO | disclosed |
| WO-2008086158-A1 | BENZODIHYDROQUINAZOLINE AS PI3 KINASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-07-17 | — | — | WO | disclosed |