Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 6/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8713306 | 0.87 | KIF11 (0.40) | KIF11TAAR1IDO1 | |
| SCHEMBL8714023 | 0.87 | TRPA1 (0.46) | KIF11TAAR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8716608 | 0.84 | KIF11 (0.44) | KIF11TAAR1CYP2C9CYP2C19TRPA1 | |
| SCHEMBL8720161 | 0.83 | TAAR1 (0.48) | KIF11TAAR1IDO1GRM2GRM3 | |
| SCHEMBL6277394 | 0.79 | ESR1 (0.45) | KIF11TAAR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8716946 | 0.79 | ADRB2 (0.41) | KCNH2POLB | |
| SCHEMBL8713320 | 0.78 | ESR1 (0.38) | KIF11TAAR1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8713802 | 0.78 | KIF11 (0.44) | KIF11TAAR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8714231 | 0.78 | ESR1 (0.53) | KIF11TAAR1CYP3A4TRPA1 | |
| SCHEMBL8713860 | 0.77 | HTT (0.47) | KIF11CYP3A4CYP2C19 |
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-5811293-A | CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1998-09-22 | — | — | US | disclosed |