Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL13705971 | 0.83 | CYP17A1 (0.50) | ALDH1A1NPSR1CYP17A1CYP19A1TSHR | |
| SCHEMBL216423 | 0.82 | ALDH1A1 (0.43) | ALDH1A1HTTNPSR1CYP17A1CYP19A1 | |
| SCHEMBL6513736 | 0.75 | LMNA (0.44) | ALDH1A1HTTNPSR1LMNAMEN1 | |
| SCHEMBL6027323 | 0.74 | — | — | |
| SCHEMBL384254 | 0.72 | ALDH1A1 (0.41) | ALDH1A1HTTNPSR1CYP17A1CYP19A1 | |
| SCHEMBL3704482 | 0.72 | ALDH1A1 (0.42) | ALDH1A1HTTNPSR1TSHRLMNA | |
| SCHEMBL2515948 | 0.72 | ALDH1A1 (0.38) | ALDH1A1HTTNPSR1MEN1MAPT | |
| SCHEMBL134550 | 0.70 | CYP17A1 (0.51) | ALDH1A1NPSR1CYP17A1CYP19A1TSHR | |
| SCHEMBL7600486 | 0.70 | ALDH1A1 (0.37) | ALDH1A1HTTNPSR1MEN1MAPT | |
| SCHEMBL14883977 | 0.69 | NPSR1 (0.36) | ALDH1A1NPSR1CYP17A1CYP19A1 |
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-1182188-B1 | Method for producing carboxylic acid tertiary alkyl ester | HONSHU CHEMICAL IND (JP) | 2011-03-09 | — | — | EP | disclosed |
| US-6492542-B2 | CONTINUALLY ADDING AN ESTERIFICATION AGENT POSSESSING A MONOVALENT ACID GROUP, WHICH AGENT IS ESTER-INTERCHANGEABLE WITH A TERTIARY ALCOHOL, TO A MIXED FLUID OF A CARBOXYLIC ACID AND A TERTIARY ALCOHOL | HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) | 2002-12-10 | — | — | US | disclosed |
| EP-1182188-A2 | Method for producing carboxylic acid tertiary alkyl ester | Honshu Chemical Industry Co., Ltd. (JP) | 2002-02-27 | — | — | EP | disclosed |