Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29350085 | 0.93 | CYP2A6 (0.52) | ALDH1A1TSHRALDH1A3CYP2A6TDP1 | |
| SCHEMBL98097 | 0.93 | CYP2A6 (0.52) | ALDH1A1TSHRALDH1A3CYP2A6TDP1 | |
| Hydrazine SCHEMBL27345905 | 0.88 | ALDH1A1 (0.48) | ALDH1A1TSHRALDH1A3CYP2A6TDP1 | |
| Alcohol SCHEMBL28361987 | 0.83 | ALDH1A1 (0.44) | ALDH1A1TSHRALDH1A3CYP2A6TDP1 | |
| Hexane SCHEMBL28362010 | 0.81 | ALDH1A1 (0.43) | ALDH1A1TSHRALDH1A3CYP2A6TDP1 | |
| SCHEMBL4348808 | 0.80 | IDO1 (0.45) | ALDH1A1ALDH1A3CYP2A6TDP1KDM4E | |
| O-Xylene SCHEMBL28205185 | 0.78 | ALDH1A1 (0.74) | ALDH1A1TSHRCYP2A6ACHELMNA | |
| SCHEMBL12117437 | 0.77 | MAOA (0.46) | ALDH1A1TSHRCYP2A6LMNATTR | |
| SCHEMBL3456595 | 0.76 | CYP2A6 (0.50) | ALDH1A1TSHRALDH1A3CYP2A6TDP1 | |
| SCHEMBL5734465 | 0.75 | TRIM24 (0.54) | ALDH1A1CYP2A6LMNAPTGS2TRIM24 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1114016-A2 | PROCESS FOR MAKING AROMATIC ALDEHYDES | ExxonMobil Chemical Patents Inc. (US) | 2001-07-11 | — | — | EP | disclosed |
| EP-1112244-A1 | PROCESS FOR MAKING AROMATIC ALDEHYDES USING IONIC LIQUIDS | ExxonMobil Chemical Patents Inc. (US) | 2001-07-04 | — | — | EP | disclosed |
| WO-2000015594-A1 | PROCESS FOR MAKING AROMATIC ALDEHYDES USING IONIC LIQUIDS | EXXON CHEMICAL PATENTS INC. (US) | 2000-03-23 | — | — | WO | disclosed |
| WO-2000015593-A2 | PROCESS FOR MAKING AROMATIC ALDEHYDES | EXXON CHEMICAL PATENTS INC. (US) | 2000-03-23 | — | — | WO | disclosed |