Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | LOX | P28300 | 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 | |
|---|---|---|---|---|
| SCHEMBL22054799 | 0.78 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19HPGD | |
| SCHEMBL3069891 | 0.70 | MEN1 (0.46) | CYP2C19MEN1KMT2AGAA | |
| SCHEMBL3076873 | 0.69 | MMP13 (0.41) | MMP13ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6365924 | 0.67 | NPC1 (0.47) | ALDH1A1MEN1KMT2AHPGDGSK3A | |
| SCHEMBL3014006 | 0.67 | MMP13 (0.45) | MMP13ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6224475 | 0.66 | MMP13 (0.40) | MMP13ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6926214 | 0.66 | OPRM1 (0.43) | ALDH1A1CYP1A2CYP2C9CYP2C19LMNA | |
| SCHEMBL156594 | 0.66 | NPC1 (0.55) | ALDH1A1MEN1KMT2AHPGDKDM4E | |
| SCHEMBL7563335 | 0.66 | ALDH1A1 (0.41) | MMP13ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL16395879 | 0.64 | MEN1 (0.66) | ALDH1A1CYP1A2CYP2C9CYP2C19MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3209664-B1 | BICYCLIC HETEROARYL AMINE COMPOUNDS AS PI3K INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2020-06-03 | — | — | EP | disclosed |