Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CCR1 | P32246 | 1/20 | 0.43 |
| ▸ | CCR5 | P51681 | 1/20 | 0.43 |
| ▸ | CCR8 | P51685 | 1/20 | 0.43 |
| ▸ | METAP1 | P53582 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.43 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL15730897 | 1.00 | CYP1A2 (0.53) | CYP1A2CYP2D6CYP2C9CYP2C19CYP19A1 | |
| SCHEMBL15730902 | 0.98 | CYP1A2 (0.51) | CYP1A2CYP2D6CYP2C9CYP2C19CYP19A1 | |
| SCHEMBL10014860 | 0.84 | CYP1A2 (0.44) | CYP1A2CYP2D6CYP2C9CYP2C19CYP19A1 | |
| SCHEMBL15730901 | 0.82 | CYP1A2 (0.43) | CYP1A2CYP2D6CYP2C9CYP2C19CYP19A1 | |
| SCHEMBL1102440 | 0.82 | TGFBR1 (0.56) | CYP1A2CYP2D6CYP2C9CYP2C19CYP19A1 | |
| SCHEMBL29925695 | 0.82 | TGFBR1 (0.56) | CYP1A2CYP2D6CYP2C9CYP2C19CYP19A1 | |
| SCHEMBL19039502 | 0.81 | LMNA (0.47) | CYP1A2CYP2D6CYP2C9CYP2C19CYP19A1 | |
| SCHEMBL5427655 | 0.81 | LMNA (0.53) | CYP1A2CYP2D6CYP2C9CYP2C19CYP19A1 | |
| SCHEMBL17453009 | 0.81 | LMNA (0.47) | CYP1A2CYP2D6CYP2C9CYP2C19CYP19A1 | |
| SCHEMBL12663368 | 0.80 | TGFBR1 (0.55) | CYP1A2CYP2D6CYP2C9CYP2C19CYP19A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022094420-A1 | SELECTIVE TRANSITION METAL CATALYZED DEUTERIUM INCORPORATION INTO ALKYNE AND ALKENE FUNCTIONALITIES | MARQUETTE UNIVERSITY (US) | 2022-05-05 | — | — | WO | disclosed |
| EP-2261218-A2 | Process for preparing phenyl-, pyridinyl- or pyrimidinyl-substituted imidazoles | Eisai R&D Management Co., Ltd. (JP) | 2010-12-15 | — | — | EP | disclosed |
| EP-1757591-A1 | CINNAMIDE COMPOUND | Eisai R&D Management Co., Ltd. (JP) | 2007-02-28 | — | — | EP | disclosed |