Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 7/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
| ▸ | GCGR | P47871 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | BRAF | P15056 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.37 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29048674 | 0.98 | CYP2D6 (0.43) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL29048666 | 0.97 | CYP2D6 (0.42) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL29048661 | 0.96 | MAPT (0.40) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL29048679 | 0.94 | SYK (0.43) | CYP19A1SYKMAPTALOX5KDM4E | |
| SCHEMBL29048621 | 0.91 | MAPT (0.41) | CYP2D6CYP3A4SYKGCGRMAPT | |
| SCHEMBL29048627 | 0.90 | MAPT (0.45) | CYP2D6CYP3A4SYKMAPTALOX5 | |
| SCHEMBL29048626 | 0.89 | CYP2D6 (0.44) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL21670524 | 0.89 | KDM4E (0.43) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL30525976 | 0.89 | KDM4E (0.43) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL29048632 | 0.89 | MAPT (0.43) | SYKMAPTKDM4ELMNANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110446770-B | Reversible thermochromic composition and reversible thermochromic microcapsule pigment containing the same | 百乐墨水株式会社 | 2023-08-08 | — | — | CN | disclosed |