Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.63 |
| ▸ | HPGD | P15428 | 4/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.61 |
| ▸ | MEN1 | O00255 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.61 |
| ▸ | PGR | P06401 | 7/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | NOS2 | P35228 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29351296 | 0.78 | ALDH1A1 (1.00) | ALDH1A1TDP1HSD17B10CYP3A4HPGD | |
| SCHEMBL28400467 | 0.78 | ALDH1A1 (0.71) | ALDH1A1TDP1HSD17B10CYP3A4HPGD | |
| SCHEMBL940450 | 0.78 | ALDH1A1 (1.00) | ALDH1A1TDP1HSD17B10CYP3A4HPGD | |
| SCHEMBL44875 | 0.78 | ALDH1A1 (1.00) | ALDH1A1TDP1HSD17B10CYP3A4HPGD | |
| SCHEMBL10840367 | 0.77 | KDM4E (0.47) | ALDH1A1TDP1HSD17B10CYP3A4HPGD | |
| Hydrochloric Acid SCHEMBL11446966 | 0.76 | ALDH1A1 (1.00) | ALDH1A1TDP1HSD17B10CYP3A4HPGD | |
| SCHEMBL9420120 | 0.76 | ALDH1A1 (0.96) | ALDH1A1TDP1HSD17B10CYP3A4HPGD | |
| SCHEMBL9310831 | 0.76 | ALDH1A1 (0.63) | ALDH1A1TDP1HSD17B10CYP3A4HPGD | |
| SCHEMBL28154022 | 0.76 | ALDH1A1 (0.96) | ALDH1A1TDP1HSD17B10CYP3A4HPGD | |
| SCHEMBL11406223 | 0.74 | ALDH1A1 (0.61) | ALDH1A1TDP1HSD17B10CYP3A4HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-0198264-A2 | Carbamoyl imidazoles | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1986-10-22 | — | — | EP | disclosed |