Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.95 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.54 |
| ▸ | APP | P05067 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL15704 | 0.98 | ALDH1A1 (1.00) | ALDH1A1CYP1A2CYP2C19CYP2C9L3MBTL1 | |
| SCHEMBL29466998 | 0.98 | ALDH1A1 (1.00) | ALDH1A1CYP1A2CYP2C19CYP2C9L3MBTL1 | |
| Hydrochloric Acid SCHEMBL2862605 | 0.95 | ALDH1A1 (0.95) | ALDH1A1CYP1A2CYP2C19CYP2C9L3MBTL1 | |
| Hydrochloric Acid SCHEMBL4379595 | 0.95 | ALDH1A1 (0.95) | ALDH1A1CYP1A2CYP2C19CYP2C9L3MBTL1 | |
| Alcohol SCHEMBL29138983 | 0.93 | ALDH1A1 (0.91) | ALDH1A1CYP1A2CYP2C19CYP2C9L3MBTL1 | |
| Cyanide SCHEMBL28071429 | 0.91 | ALDH1A1 (0.88) | ALDH1A1CYP1A2CYP2C19CYP2C9L3MBTL1 | |
| SCHEMBL11092325 | 0.90 | ALDH1A1 (0.84) | ALDH1A1CYP1A2CYP2C19CYP2C9L3MBTL1 | |
| Aniline SCHEMBL22169142 | 0.90 | ALDH1A1 (0.84) | ALDH1A1CYP1A2CYP2C19CYP2C9L3MBTL1 | |
| Propanol SCHEMBL6496776 | 0.88 | ALDH1A1 (0.81) | ALDH1A1CYP1A2CYP2C19CYP2C9L3MBTL1 | |
| Acetic Acid SCHEMBL29168779 | 0.86 | ALDH1A1 (0.78) | ALDH1A1CYP1A2CYP2C19CYP2C9L3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1104444-B1 | STRONG GREEN-SHADE YELLOW DISAZO PIGMENT | ENGELHARD CORP (US) | 2002-12-18 | — | — | EP | claimed |
| CN-107345080-A | A kind of fur novel environment friendly acidity blue dyes and synthetic method | 北京泛博清洁技术研究院有限公司 | 2017-11-14 | — | — | CN | disclosed |