Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.39 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.39 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.39 |
| ▸ | ADH1B | P00325 | 1/20 | 0.39 |
| ▸ | ADH1C | P00326 | 1/20 | 0.39 |
| ▸ | ADH1A | P07327 | 1/20 | 0.39 |
| ▸ | ADH7 | P40394 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 SCHEMBL29165543 | 0.89 | TSHR (0.58) | TSHRALDH1A1CYP2C19MEN1KMT2A | |
| SCHEMBL19293308 | 0.85 | TSHR (0.48) | TSHRALDH1A1CYP2C19MEN1KMT2A | |
| SCHEMBL12707435 | 0.85 | TSHR (0.48) | TSHRALDH1A1CYP2C19MEN1KMT2A | |
| Ammonia Solution, Strong SCHEMBL28945137 | 0.83 | TSHR (0.46) | TSHRALDH1A1CYP2C19MEN1KMT2A | |
| SCHEMBL19293338 | 0.83 | TSHR (0.52) | TSHRALDH1A1CYP2C19S1PR2S1PR4 | |
| SCHEMBL12707478 | 0.83 | TSHR (0.52) | TSHRALDH1A1CYP2C19S1PR2S1PR4 | |
| SCHEMBL339967 | 0.82 | — | — | |
| SCHEMBL11096563 | 0.80 | TSHR (0.46) | TSHRALDH1A1MEN1KMT2AADH1B | |
| Water SCHEMBL28099768 | 0.80 | TSHR (0.46) | TSHRALDH1A1MEN1KMT2AADH1B | |
| Hydrochloric Acid SCHEMBL11090075 | 0.80 | TSHR (0.46) | TSHRALDH1A1CYP2C19MEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0519747-B1 | Cement admixture and defoaming agent | GRACE W R & CO (US) | 1996-09-04 | — | — | EP | disclosed |
| EP-0519747-A2 | Cement admixture and defoaming agent | W.R. Grace & Co.-Conn. (US) | 1992-12-23 | — | — | EP | disclosed |
| US-5156679-A | Water soluble alkylated alkanolamine salts | W. R. GRACE & CO.-CONN. (US) | 1992-10-20 | — | — | US | disclosed |