Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 7/20 | 0.41 |
| ▸ | CES1 | P23141 | 7/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10029706 | 0.82 | ALDH1A1 (0.59) | CES2CES1ALDH1A1HPGDSRD5A2 | |
| SCHEMBL2197326 | 0.82 | TSHR (0.59) | CES2CES1ALDH1A1HPGDTSHR | |
| SCHEMBL10476977 | 0.82 | TSHR (0.59) | CES2CES1ALDH1A1HPGDTSHR | |
| Benzene SCHEMBL10386399 | 0.81 | ALDH1A1 (0.54) | CES2CES1ALDH1A1TSHRNAPRT | |
| Benzoyl Chloride SCHEMBL1241 | 0.78 | — | — | |
| Benzoyl Chloride SCHEMBL14359354 | 0.78 | CES1 (0.58) | CES2CES1ALDH1A1HPGDTSHR | |
| Benzoyl Chloride SCHEMBL8995857 | 0.78 | CES1 (0.58) | CES2CES1ALDH1A1HPGDTSHR | |
| SCHEMBL19185622 | 0.78 | CES1 (0.58) | CES2CES1ALDH1A1HPGDTSHR | |
| Benzoyl Chloride SCHEMBL1331834 | 0.78 | — | — | |
| SCHEMBL13703264 | 0.77 | ALDH1A1 (0.67) | CES2CES1ALDH1A1HPGDTSHR |
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-5820992-A | SEMIPERMEABLE MEMBRANE; GAS SEPARATION; AROMATIC POLYESTER | NATIONAL CHEMICAL LABORATORY (IN) | 1998-10-13 | — | — | US | disclosed |