Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | PLAU | P00749 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Benzyl Carbamate SCHEMBL31154486 | 0.86 | CYP1A2 (0.62) | CYP2C9CYP2C19KMT2AALDH1A1PLAU | |
| SCHEMBL30898578 | 0.85 | TDP1 (0.50) | CYP2C9ALDH1A1TSHRMAPK1LMNA | |
| SCHEMBL113937 | 0.85 | IDO1 (0.54) | CYP2C9CYP2C19MEN1KMT2AALDH1A1 | |
| SCHEMBL29665195 | 0.85 | L3MBTL1 (0.48) | CYP2C9CYP2C19MEN1KMT2AALDH1A1 | |
| SCHEMBL167573 | 0.83 | MEN1 (0.73) | CYP2C9CYP2C19MEN1KMT2AALDH1A1 | |
| SCHEMBL31366711 | 0.82 | CYP2C9 (0.58) | CYP2C9CYP2C19MEN1KMT2AALDH1A1 | |
| SCHEMBL30605657 | 0.82 | GAA (0.49) | CYP2C9CYP2C19KMT2AALDH1A1GAA | |
| SCHEMBL30034400 | 0.81 | EPHX2 (0.45) | CYP2C9CYP2C19RAB9APLAUGAA | |
| SCHEMBL30035120 | 0.80 | RAB9A (0.49) | CYP2C9CYP2C19MEN1KMT2AALDH1A1 | |
| Benzyl Carbamate SCHEMBL31366710 | 0.79 | TRPV1 (0.54) | CYP2C9CYP2C19PLAUCYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114945572-A | HBF pharmacological inducing compounds for the treatment of sickle cell anemia and beta-thalassemia | 刘扶东 | 2022-08-26 | — | — | CN | disclosed |
| CN-114555610-A | Boronic ester prodrugs and uses thereof | 麻省理工学院 | 2022-05-27 | — | — | CN | disclosed |