Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.42 |
| ▸ | TYMS | P04818 | 4/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4736797 | 0.78 | TYMS (0.43) | TYMSADORA2AADORA1ALDH1A1KDM4E | |
| SCHEMBL4741269 | 0.70 | ADORA1 (0.45) | ADORA1ALDH1A1KDM4ELMNAHPGD | |
| SCHEMBL8580105 | 0.68 | CCNA2 (0.44) | PTGS2KDM4ERAB9ALMNACYP1A2 | |
| SCHEMBL17279668 | 0.67 | TYMS (0.41) | TYMSALDH1A1HRH1HRH4CYP1A2 | |
| SCHEMBL4739911 | 0.64 | TYMS (0.52) | TYMSADORA2AADORA1 | |
| SCHEMBL5593055 | 0.64 | BPTF (0.61) | PTGS2ALDH1A1KDM4ERAB9ALMNA | |
| SCHEMBL4741116 | 0.64 | DHFR (0.40) | PTGS2TYMSADORA2AADORA1PTGS1 | |
| SCHEMBL6143100 | 0.63 | NPC1 (0.44) | PTGS2TYMSNPC1PTGS1 | |
| SCHEMBL6142699 | 0.63 | PTGS2 (0.45) | PTGS2PTGS1 | |
| SCHEMBL4810834 | 0.63 | PTGS2 (0.42) | PTGS2KDM4EHPGD |
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 |