Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4785593 | 0.91 | TSHR (0.52) | TSHRPOLBCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9543267 | 0.88 | SIGMAR1 (0.50) | SIGMAR1 | |
| SCHEMBL6682020 | 0.88 | CYP1A2 (0.48) | TSHRSIGMAR1POLBCYP1A2CYP2C9 | |
| SCHEMBL28605341 | 0.86 | SIGMAR1 (0.53) | SIGMAR1 | |
| SCHEMBL6682257 | 0.86 | SIGMAR1 (0.50) | TSHRSIGMAR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL598729 | 0.84 | TSHR (0.47) | TSHRPOLBCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL31490485 | 0.84 | CSNK1E (0.49) | SIGMAR1CYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL6679579 | 0.84 | CSNK1E (0.49) | SIGMAR1CYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL10711841 | 0.83 | TSHR (0.46) | TSHRPOLBCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9821375 | 0.83 | TSHR (0.46) | TSHRPOLBCYP1A2CYP2C9CYP2C19 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0586418-A1 | SUBSTITUTED TRIAZOLINONES | BAYER AG (DE) | 1994-03-16 | — | — | EP | claimed |
| US-5276008-A | Herbicides and plant growth regulators | BAYER AKTIENGESELLSCHAFT (DE) | 1994-01-04 | — | — | US | claimed |
| WO-1992020663-A1 | SUBSTITUTED TRIAZOLINONES | BAYER AKTIENGESELLSCHAFT (DE) | 1992-11-26 | — | — | WO | claimed |
| EP-0502307-A2 | Substituted 4,5-diamino-1,2,4-triazol-3-(thi)ones | BAYER AG (DE) | 1992-09-09 | — | — | EP | claimed |
| CN-100528828-C | Production method of racemiation3-hydroxy-3- (2-phenylethyl) hexanoic acid C1-6 alkyl ester | SUMIKA FINE CHEMICALS CO LTD (JP) | 2009-08-19 | — | — | CN | disclosed |
| CN-1982284-A | Production method of (R) -3 hydroxy-3- (2-phenylethyl) hexanoic acid and intermediate thereof | SUMIKA FINE CHEMICALS CO LTD (JP) | 2007-06-20 | — | — | CN | disclosed |
| CN-1301244-C | Process for producing -3-hydroxy-3- (2-phenylethyl) hexanoic acid and intermediates thereof | SUMITOMO CHEMICAL CO (JP) | 2007-02-21 | — | — | CN | disclosed |
| CN-1617846-A | Process for producing -3-hydroxy-3- (2-phenylethyl) hexanoic acid and intermediates thereof | SUMITOMO CHEMICAL CO (JP) | 2005-05-18 | — | — | CN | disclosed |
| EP-0586418-A1 | SUBSTITUTED TRIAZOLINONES | BAYER AG (DE) | 1994-03-16 | — | — | EP | disclosed |
| US-5276008-A | Herbicides and plant growth regulators | BAYER AKTIENGESELLSCHAFT (DE) | 1994-01-04 | — | — | US | disclosed |
| WO-1992020663-A1 | SUBSTITUTED TRIAZOLINONES | BAYER AKTIENGESELLSCHAFT (DE) | 1992-11-26 | — | — | WO | disclosed |
| EP-0502307-A2 | Substituted 4,5-diamino-1,2,4-triazol-3-(thi)ones | BAYER AG (DE) | 1992-09-09 | — | — | EP | disclosed |