Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | ADH1B | P00325 | 1/20 | 0.34 |
| ▸ | ADH1C | P00326 | 1/20 | 0.34 |
| ▸ | ADH1A | P07327 | 1/20 | 0.34 |
| ▸ | ADH7 | P40394 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5245330 | 0.96 | TSHR (0.50) | TSHRALDH1A1CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL22609709 | 0.96 | TSHR (0.48) | TSHRALDH1A1CYP2C19CYP1A2CYP3A4 | |
| Dipentylamine SCHEMBL28302348 | 0.84 | TSHR (0.56) | TSHRALDH1A1CYP2C19CYP1A2KMT2A | |
| SCHEMBL7323506 | 0.84 | TSHR (0.47) | TSHRALDH1A1CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL23221900 | 0.81 | ALDH1A1 (0.50) | TSHRALDH1A1CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL11726100 | 0.81 | TSHR (0.50) | TSHRALDH1A1CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL15782518 | 0.81 | TSHR (0.51) | TSHRALDH1A1CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL8979968 | 0.79 | TSHR (0.55) | TSHRALDH1A1CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL5247170 | 0.78 | — | — | |
| SCHEMBL22183417 | 0.77 | TSHR (0.46) | TSHRALDH1A1CYP2C19CYP1A2CYP3A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1379598-B1 | UNSATURATED COMPOUNDS CONTAINING CARBAMATE TERMINAL GROUPS OR UREA TERMINAL GROUPS | BASF AG (DE) | 2007-09-12 | — | — | EP | disclosed |
| US-6916854-B2 | Heat and/or light curable films or coatings comprising polyurethanes or polyureaurethane copolymers having storage stability, used as automobile paints | BASF AKTIENGESELLSCHAFT (DE) | 2005-07-12 | — | — | US | disclosed |
| US-20040097642-A1 | Unsaturated compounds containing carbamate terminal groups or urea terminal groups | BASF AKTIENGESELLSCHAFT (DE) | 2004-05-20 | — | — | US | disclosed |
| EP-1379598-A1 | UNSATURATED COMPOUNDS CONTAINING CARBAMATE TERMINAL GROUPS OR UREA TERMINAL GROUPS | BASF AKTIENGESELLSCHAFT (DE) | 2004-01-14 | — | — | EP | disclosed |
| WO-2002086000-A1 | UNSATURATED COMPOUNDS CONTAINING CARBAMATE TERMINAL GROUPS OR UREA TERMINAL GROUPS | BASF AKTIENGESELLSCHAFT (DE) | 2002-10-31 | — | — | WO | disclosed |