Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | ALPL | P05186 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Isopropyl Alcohol SCHEMBL29170506 | 0.85 | ALDH1A1 (0.35) | ALDH1A1TSHRATMACHEALPL | |
| SCHEMBL2317417 | 0.78 | — | — | |
| Ethyl Chloride SCHEMBL6536541 | 0.76 | TSHR (0.33) | ALDH1A1TSHR | |
| SCHEMBL30084652 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL27557802 | 0.76 | — | — | |
| Methylene Chloride SCHEMBL9389820 | 0.76 | TSHR (0.33) | ALDH1A1TSHR | |
| Hypochlorous Acid SCHEMBL11208004 | 0.76 | — | — | |
| SCHEMBL6443493 | 0.74 | — | — | |
| SCHEMBL10614175 | 0.74 | — | — | |
| SCHEMBL9511819 | 0.73 | ALDH1A1 (0.32) | ALDH1A1TSHRHPGD |
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-5510004-A | USING POLYMERS AND COPOLYMERS OF N,N-DIALLYL-3-HYDROXYAZETIDINIUM SALTS WHICH HAVE A REDUCED LEVEL OF ORGANOHALIDE BY-PRODUCTS | HERCULES INCORPORATED (US) | 1996-04-23 | — | — | US | disclosed |