Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 2/20 | 0.41 |
| ▸ | CNR2 | P34972 | 2/20 | 0.41 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.39 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11868489 | 0.86 | ACHE (0.41) | KIF11CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11868302 | 0.84 | ACHE (0.47) | KIF11CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11867334 | 0.83 | ACHE (0.42) | KIF11CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11655603 | 0.83 | KIF11 (0.47) | KIF11CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11863627 | 0.82 | ACHE (0.59) | KIF11CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11867099 | 0.81 | ACHE (0.50) | KIF11KCNH2ACHETSHRNPSR1 | |
| M-Xylene SCHEMBL29242626 | 0.80 | TSHR (0.64) | KIF11CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1538526 | 0.79 | ACHE (0.52) | KIF11CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7644095 | 0.79 | TSHR (0.48) | KIF11CYP3A4ACHETSHRNPSR1 | |
| SCHEMBL11877006 | 0.79 | KCNN4 (0.43) | KIF11CYP3A4CYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-3985766-A | ANTIMYCOTICS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-10-12 | — | — | US | disclosed |