Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | ESRRG | P62508 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19040950 | 1.00 | ALDH1A1 (0.44) | ALDH1A1HPGDHTTCES2CES1 | |
| SCHEMBL11278110 | 1.00 | ALDH1A1 (0.44) | ALDH1A1HPGDHTTCES2CES1 | |
| SCHEMBL19041280 | 0.86 | CES2 (0.53) | ALDH1A1HPGDCES2CES1PGR | |
| SCHEMBL19795917 | 0.84 | CES2 (0.42) | ALDH1A1HPGDHTTCES2CES1 | |
| SCHEMBL11719533 | 0.83 | CES2 (0.46) | ALDH1A1HPGDCES2CES1PGR | |
| SCHEMBL11719526 | 0.83 | CES2 (0.46) | ALDH1A1HPGDCES2CES1PGR | |
| SCHEMBL19795961 | 0.81 | ALDH1A1 (0.43) | ALDH1A1HPGDHTTCES2CES1 | |
| SCHEMBL11636860 | 0.81 | PTPN1 (0.43) | ALDH1A1HPGDHTTCES2CES1 | |
| SCHEMBL11636865 | 0.81 | PTPN1 (0.43) | ALDH1A1HPGDHTTCES2CES1 | |
| SCHEMBL19041227 | 0.80 | ALDH1A1 (0.38) | ALDH1A1HPGDCES2CES1AKR1C1 |
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-4364956-A | ASTHMA | LILLY INDUSTRIES LIMITED (GB) | 1982-12-21 | — | — | US | disclosed |