Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28574996 | 0.81 | CYP2D6 (0.36) | CYP2D6CYP2C19PIK3CD | |
| SCHEMBL29108954 | 0.76 | PTGS1 (0.31) | — | |
| SCHEMBL26928410 | 0.74 | PIK3CD (0.41) | CYP2D6CYP2C19PIK3CDKDM4EPKM | |
| SCHEMBL8076403 | 0.71 | MCL1 (0.45) | CYP2C19PIK3CDKDM4E | |
| SCHEMBL4594988 | 0.71 | PIK3CD (0.34) | CYP2D6CYP2C19PIK3CD | |
| SCHEMBL5194246 | 0.71 | PIK3CD (0.34) | CYP2D6CYP2C19PIK3CD | |
| SCHEMBL6729529 | 0.67 | PIK3CD (0.52) | CYP2D6CYP2C19PIK3CD | |
| SCHEMBL4577529 | 0.67 | KMT2A (0.38) | CYP2D6CYP2C19KDM4EPKM | |
| SCHEMBL2490315 | 0.67 | — | — | |
| SCHEMBL15454398 | 0.67 | CNR2 (0.38) | CYP2D6CYP2C19PIK3CD |
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 |
|---|---|---|---|---|---|---|---|
| US-4331438-A | TREATMENT WITH A FORMALDEHYDE ACCEPTOR | BASF WYANDOTTE CORPORATION (US) | 1982-05-25 | — | — | US | claimed |
| US-4331438-A | TREATMENT WITH A FORMALDEHYDE ACCEPTOR | BASF WYANDOTTE CORPORATION (US) | 1982-05-25 | — | — | US | disclosed |