Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.47 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.45 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL21828677 | 1.00 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL28934869 | 0.86 | CYP3A4 (0.53) | CYP3A4CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL1290759 | 0.77 | CYP3A4 (0.65) | CYP3A4CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL4156484 | 0.77 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL4156493 | 0.77 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL928913 | 0.76 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL431539 | 0.76 | CYP3A4 (0.56) | CYP3A4CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL14037432 | 0.76 | USP30 (0.62) | ALDH1A1L3MBTL1KDM4ES1PR1S1PR5 | |
| SCHEMBL1872029 | 0.76 | L3MBTL1 (0.65) | ALDH1A1SMN1; SMN2L3MBTL1KDM4ES1PR1 | |
| SCHEMBL13177349 | 0.76 | USP30 (0.62) | ALDH1A1L3MBTL1KDM4ES1PR1S1PR5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3856735-A1 | FUSED BICYCLIC HETEROCYCLES AS THEREAPEUTIC AGENTS | New York University (US) | 2021-08-04 | — | — | EP | disclosed |
| WO-2020073031-A1 | FUSED BICYCLIC HETEROCYCLES AS THEREAPEUTIC AGENTS | NEW YORK UNIVERSITY (US) | 2020-04-09 | — | — | WO | disclosed |