Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | DHFR | P00374 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL470363 | 0.79 | — | — | |
| SCHEMBL1697347 | 0.78 | TRPA1 (0.57) | TRPA1ATMALDH1A1CYP1A2CYP2A6 | |
| SCHEMBL7923390 | 0.77 | TRPA1 (0.44) | TRPA1ATMALDH1A1CYP1A2CYP2A6 | |
| SCHEMBL14273241 | 0.76 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP2A6TSHRSMN1; SMN2 | |
| SCHEMBL19831076 | 0.76 | ALDH1A1 (0.37) | TRPA1ATMALDH1A1 | |
| SCHEMBL40704 | 0.71 | — | — | |
| SCHEMBL5494561 | 0.71 | TRPA1 (0.61) | TRPA1ATMALDH1A1CYP1A2CYP2A6 | |
| SCHEMBL12911368 | 0.70 | ALDH1A1 (0.48) | TRPA1ATMALDH1A1CYP1A2CYP2A6 | |
| SCHEMBL3899110 | 0.70 | TRPA1 (0.38) | TRPA1ATMALDH1A1CYP1A2CYP2A6 | |
| SCHEMBL21239145 | 0.69 | MCL1 (0.45) | ALDH1A1CYP1A2CYP2A6SMN1; SMN2ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005070916-A1 | THIOPHENE AND FURAN COMPOUNDS | ELI LILLY AND COMPANY (US) | 2005-08-04 | — | — | WO | disclosed |