Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | HRH1 | P35367 | 2/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.38 |
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 | 0.74 | TYMS (0.43) | ADORA1SMN1; SMN2HRH1HRH4ALDH1A1 | |
| SCHEMBL2320673 | 0.70 | SMN1; SMN2 (0.57) | ADORA1SMN1; SMN2ALDH1A1L3MBTL1KMT2A | |
| SCHEMBL4787503 | 0.70 | PTGS2 (0.42) | ADORA1HRH1HRH4ALDH1A1KDM4E | |
| SCHEMBL21641647 | 0.67 | ALDH1A1 (0.86) | ADORA1SMN1; SMN2ALDH1A1L3MBTL1KMT2A | |
| SCHEMBL17279668 | 0.63 | TYMS (0.41) | SMN1; SMN2HRH1HRH4ALDH1A1L3MBTL1 | |
| SCHEMBL14148144 | 0.63 | CCNA2 (0.41) | ADORA1HRH1HRH4KMT2AMEN1 | |
| SCHEMBL14148423 | 0.62 | CCNA2 (0.47) | ADORA1MAPTCCNA2CDK2GLA | |
| SCHEMBL2324314 | 0.62 | ALDH1A1 (0.56) | ADORA1SMN1; SMN2ALDH1A1L3MBTL1KMT2A | |
| SCHEMBL4739911 | 0.61 | TYMS (0.52) | ADORA1 | |
| SCHEMBL14214556 | 0.60 | KCNH3 (0.52) | ADORA1SMN1; SMN2ALDH1A1L3MBTL1KMT2A |
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-2008086158-A1 | BENZODIHYDROQUINAZOLINE AS PI3 KINASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-07-17 | — | — | WO | disclosed |