Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 5/20 | 0.61 |
| ▸ | TSHR | P16473 | 5/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL6068472 | 0.97 | ACHE (0.58) | ACHETSHRLMNAALOX12MAPK1 | |
| Toluene SCHEMBL719989 | 0.83 | ACHE (0.61) | ACHETSHRLMNAALOX12MAPK1 | |
| Toluene SCHEMBL11594422 | 0.81 | TSHR (0.58) | ACHETSHRLMNAALOX12MAPK1 | |
| Toluene SCHEMBL7309310 | 0.81 | TSHR (0.58) | ACHETSHRLMNAALOX12MAPK1 | |
| Biphenyl SCHEMBL1193167 | 0.80 | ALDH1A1 (0.53) | TSHRLMNAMAPK1ALDH1A1ALOX15 | |
| Toluene SCHEMBL7645369 | 0.78 | — | — | |
| Toluene SCHEMBL10989418 | 0.78 | — | — | |
| Toluene SCHEMBL4429042 | 0.78 | ACHE (1.00) | ACHETSHRLMNAALOX12HPGD | |
| Toluene SCHEMBL8938900 | 0.78 | ACHE (1.00) | ACHETSHRLMNAALOX12HPGD | |
| Toluene SCHEMBL4535818 | 0.78 | ACHE (1.00) | ACHETSHRLMNAALOX12HPGD |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111039782-A | Crystal form of 2- [4- [ (E) - (2-ketocyclohexenyl) methyl ] phenyl ] propionic acid and preparation method thereof | 湖南九典制药股份有限公司 | 2020-04-21 | — | — | CN | claimed |
| EP-0946684-B1 | USE OF DIESEL FUEL ADDITIVES | SHELL INT RESEARCH (NL) | 2005-05-25 | — | — | EP | disclosed |
| EP-0646103-B1 | BF3-TERTIARY ETHERATE COMPLEXES FOR ISOBUTYLENE POLYMERIZATION | AMOCO CORP (US) | 1997-08-27 | — | — | EP | disclosed |
| EP-0646103-A4 | BF 3?-TERTIARY ETHERATE COMPLEXES FOR ISOBUTYLENE POLYMERIZATION. | AMOCO CORP (US) | 1995-08-09 | — | — | EP | disclosed |
| EP-0664316-A1 | Polycarbonate composition having improved resistance to gamma-ray radiation | TEIJIN LIMITED (JP) | 1995-07-26 | — | — | EP | disclosed |
| EP-0646103-A1 | BF 3?-TERTIARY ETHERATE COMPLEXES FOR ISOBUTYLENE POLYMERIZATION. | AMOCO CORP (US) | 1995-04-05 | — | — | EP | disclosed |
| WO-1993010063-A1 | BF3-TERTIARY ETHERATE COMPLEXES FOR ISOBUTYLENE POLYMERIZATION | AMOCO CORPORATION (US) | 1993-05-27 | — | — | WO | disclosed |
| US-5068490-A | Alkyl tert-butyl ether boron trifluoride complex as a catalyst | AMOCO CORPORATION (US) | 1991-11-26 | — | — | US | disclosed |