Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | ACHE | P22303 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | MPO | P05164 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 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 | |
|---|---|---|---|---|
| Water SCHEMBL31324050 | 0.98 | TRPA1 (0.37) | TRPA1ATMTSHRACHECYP1A2 | |
| SCHEMBL5988702 | 0.85 | TRPA1 (0.37) | TRPA1ATMTSHRACHECYP1A2 | |
| SCHEMBL2933394 | 0.84 | TSHR (0.43) | TSHRACHECYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL31507262 | 0.84 | TRPA1 (0.46) | TRPA1ATMTSHRACHECYP1A2 | |
| SCHEMBL4256593 | 0.84 | TRPA1 (0.46) | TRPA1ATMTSHRACHECYP1A2 | |
| SCHEMBL14603956 | 0.82 | TSHR (0.41) | TSHRACHECYP1A2CYP2A6ALDH1A1 | |
| Hydrochloric Acid SCHEMBL29026500 | 0.82 | TSHR (0.41) | TRPA1ATMTSHRACHECYP1A2 | |
| Hydrochloric Acid SCHEMBL2154269 | 0.82 | TSHR (0.41) | TSHRACHECYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL5988705 | 0.82 | TSHR (0.41) | TRPA1ATMTSHRACHECYP1A2 | |
| SCHEMBL28379430 | 0.82 | TSHR (0.41) | TSHRACHECYP1A2CYP2A6ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025108404-A1 | HETEROCYCLIC COMPOUND OF BIFUNCTIONAL CHIMERA FOR TARGETED DEGRADATION OF ANDROGEN RECEPTOR AND USE THEREOF | 广东东阳光药业股份有限公司 | 2025-05-30 | — | — | WO | disclosed |
| EP-0405266-A2 | Hydrogenation of unsaturated polymers containing nitrile groups | BAYER AG (DE) | 1991-01-02 | — | — | EP | disclosed |