Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28631807 | 0.80 | APP (0.38) | ALDH1A1TDP1TP53L3MBTL1MAPT | |
| SCHEMBL2059899 | 0.79 | MAOB (0.38) | ALDH1A1CYP3A4MAPK1TP53TSHR | |
| SCHEMBL24300151 | 0.76 | ALDH1A1 (0.56) | ALDH1A1CYP3A4TDP1MAPK1TP53 | |
| SCHEMBL8947827 | 0.76 | CYP2A6 (0.52) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL11335386 | 0.74 | MAPT (0.53) | CYP3A4ALOX15MAPTMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL15018375 | 0.74 | ALDH1A1 (0.54) | ALDH1A1CYP3A4TDP1MAPK1TP53 | |
| SCHEMBL9509362 | 0.73 | MAPT (0.50) | ALDH1A1CYP3A4TDP1MAPK1L3MBTL1 | |
| SCHEMBL4201252 | 0.72 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TDP1MAPK1TP53 | |
| SCHEMBL14387478 | 0.70 | MEN1 (0.57) | ALDH1A1GFERMAPTKDM4ECYP2C19 | |
| SCHEMBL11403873 | 0.68 | SLC6A2 (0.40) | ALDH1A1CYP3A4TDP1MAPK1TP53 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4110070-A | QUATERNIZING INDOLENINE METHINE COMPOUND ON FIBERS TO FORM CATIONIC DYE | HODOGAYA CHEMICAL CO., LTD. (JP) | 1978-08-29 | — | — | US | disclosed |