Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.36 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.36 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.32 |
| ▸ | NR4A2 | P43354 | 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 | |
|---|---|---|---|---|
| SCHEMBL11203386 | 0.81 | POLB (0.41) | ALDH1A1POLBMEN1KMT2AKDM4E | |
| SCHEMBL11190782 | 0.76 | AKR1B1 (0.45) | ALDH1A1POLBTDP1MEN1KMT2A | |
| SCHEMBL9199488 | 0.73 | GABBR2 (0.54) | MEN1KMT2ABLMCYP2C19CYP1A2 | |
| SCHEMBL1613696 | 0.71 | HRH1 (0.56) | HRH1POLBROCK2MAPK1CYP2C19 | |
| SCHEMBL11486005 | 0.70 | CYP2D6 (0.38) | ALDH1A1MEN1KMT2ACYP2C19KDM4E | |
| Hydrochloric Acid SCHEMBL1093394 | 0.70 | HRH1 (0.54) | HRH1POLBROCK2MAPK1CYP2C19 | |
| SCHEMBL27843751 | 0.70 | HRH1 (0.54) | HRH1POLBROCK2MAPK1CYP2C19 | |
| SCHEMBL656968 | 0.69 | GABBR2 (0.41) | ALDH1A1POLBTDP1MEN1KMT2A | |
| SCHEMBL9315742 | 0.69 | ALOX5 (0.48) | CYP1A2 | |
| SCHEMBL5323213 | 0.69 | KIF11 (0.42) | SLC1A3SLC1A2SLC1A1POLBTDP1 |
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-5278166-A | 4-amino-3-heteroaryl butyric acid compounds, compositions, and their use for treating disorders involving a dysfunction of GABAB receptors | ADIR ET COMPAGNIE (FR) | 1994-01-11 | — | — | US | disclosed |