Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14363077 | 0.87 | ALDH1A1 (0.39) | ALDH1A1IDO1CYP3A4HPGDTAAR1 | |
| SCHEMBL14963168 | 0.87 | ALDH1A1 (0.41) | ALDH1A1IDO1CYP3A4HPGDPTPN1 | |
| SCHEMBL13067432 | 0.78 | ALDH1A1 (0.48) | ALDH1A1CYP3A4HPGDTAAR1MEN1 | |
| SCHEMBL5730733 | 0.76 | ALDH1A1 (0.46) | ALDH1A1CYP3A4HPGDTAAR1MEN1 | |
| SCHEMBL10753734 | 0.76 | ALDH1A1 (0.46) | ALDH1A1CYP3A4HPGDTAAR1MEN1 | |
| SCHEMBL15216746 | 0.76 | ALDH1A1 (0.46) | ALDH1A1CYP3A4HPGDTAAR1MEN1 | |
| SCHEMBL2332266 | 0.76 | ALDH1A1 (0.46) | ALDH1A1IDO1CYP3A4CYP1A1CYP1B1 | |
| SCHEMBL9171915 | 0.74 | ALDH1A1 (0.43) | ALDH1A1IDO1CYP3A4TAAR1CYP1A1 | |
| SCHEMBL509722 | 0.74 | HRH3 (0.40) | ALDH1A1IDO1MEN1TSHRKMT2A | |
| SCHEMBL21938394 | 0.73 | NOS3 (0.43) | ALDH1A1CYP3A4HPGDTAAR1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2857388-A1 | Azoles containing sulfone | Grünenthal GmbH (DE) | 2015-04-08 | — | — | EP | disclosed |