Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | TNKS | O95271 | 1/20 | 0.41 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.41 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.41 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 4/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | CCNE2 | O96020 | 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 | |
|---|---|---|---|---|
| SCHEMBL9302519 | 0.73 | ADORA2A (0.43) | ADORA2ATNKSTNKS2PARP2GRM2 | |
| SCHEMBL8321756 | 0.70 | GCGR (0.46) | ADORA2ATNKSTNKS2PARP2GRM2 | |
| SCHEMBL10345401 | 0.69 | CYP19A1 (0.56) | ADORA2AALDH1A1SMN1; SMN2KMT2AHPGD | |
| SCHEMBL14544897 | 0.68 | GCGR (0.44) | ADORA2ATNKSTNKS2PARP2ALDH1A1 | |
| SCHEMBL8877398 | 0.67 | HMGCR (0.51) | ADORA2ATNKSTNKS2PARP2GRM2 | |
| SCHEMBL22876085 | 0.67 | GCGR (0.58) | ADORA2A | |
| SCHEMBL577952 | 0.66 | MAPK14 (0.47) | ADORA2ATNKSTNKS2PARP2GRM2 | |
| SCHEMBL12525154 | 0.66 | ALDH1A1 (0.61) | ADORA2AGRM2ALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL8877962 | 0.66 | HMGCR (0.53) | ADORA2AALDH1A1SMN1; SMN2SCN9AMAPT | |
| Methane SCHEMBL10345343 | 0.66 | HMGCR (0.50) | ADORA2ASCN9AMAPK10MAPK14 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0705837-B1 | Preparation of 3-Oxy-5-oxo-6-heptenoic acid derivatives | UBE INDUSTRIES (JP) | 2002-08-07 | — | — | EP | disclosed |
| US-5744604-A | Preparation of 3-oxy-5-oxo-6-heptenoic acid derivatives | UBE INDUSTRIES, LTD. (JP) | 1998-04-28 | — | — | US | disclosed |
| US-5677455-A | Preparation of 3-oxy-5-oxo-6-heptenoic acid derivatives | UBE INDUSTRIES, LTD. (JP) | 1997-10-14 | — | — | US | disclosed |
| EP-0705837-A2 | Preparation of 3-Oxy-5-oxo-6-heptenoic acid derivatives | UBE INDUSTRIES, LTD. (JP) | 1996-04-10 | — | — | EP | disclosed |