Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CD44 | P16070 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL144551 | 0.88 | — | — | |
| SCHEMBL1317463 | 0.85 | CYP2A6 (0.47) | ALDH1A1CYP3A4CHRM1ALOX15MAOA | |
| SCHEMBL4755295 | 0.85 | CYP2A6 (0.47) | ALDH1A1CYP3A4CHRM1ALOX15MAOA | |
| SCHEMBL1697347 | 0.77 | TRPA1 (0.57) | ALDH1A1CYP3A4CHRM1CYP2A6CYP1A2 | |
| Methyl Alcohol SCHEMBL28438797 | 0.76 | TSHR (0.50) | ALDH1A1CYP3A4HTR2BCYP2A6CYP1A2 | |
| Hypochlorous Acid SCHEMBL28661376 | 0.76 | TSHR (0.50) | ALDH1A1CYP3A4HTR2BCYP2A6CYP1A2 | |
| SCHEMBL546021 | 0.76 | — | — | |
| SCHEMBL38652649 | 0.76 | — | — | |
| O-Xylene SCHEMBL931223 | 0.76 | TSHR (0.71) | ALDH1A1CYP3A4CYP2A6CYP1A2TRPA1 | |
| SCHEMBL28351 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4267591-A2 | ORGANOMETALLIC COMPOUNDS | Umicore AG & Co. KG (DE) | 2023-11-01 | — | — | EP | disclosed |
| WO-2022136049-A2 | ORGANOMETALLIC COMPOUNDS | UMICORE AG & CO. KG (DE) | 2022-06-30 | — | — | WO | disclosed |