Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CCR2 | P41597 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4032987 | 0.86 | LMNA (0.45) | ALDH1A1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4034288 | 0.86 | ALDH1A1 (0.39) | ALDH1A1F10L3MBTL1LMNACCR2 | |
| SCHEMBL31223256 | 0.86 | ALDH1A1 (0.39) | ALDH1A1F10L3MBTL1LMNACCR2 | |
| SCHEMBL9761613 | 0.85 | ALDH1A1 (0.38) | ALDH1A1L3MBTL1LMNACYP1A2CYP3A4 | |
| SCHEMBL6101293 | 0.85 | CYP1A2 (0.41) | ALDH1A1LMNACYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL9649707 | 0.84 | LMNA (0.44) | ALDH1A1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4268094 | 0.81 | KDM4E (0.44) | ALDH1A1L3MBTL1LMNAMAPTHPGD | |
| SCHEMBL28324465 | 0.81 | MAPT (0.34) | ALDH1A1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28176076 | 0.80 | BCAT2 (0.44) | ALDH1A1LMNACCR2CYP1A2CYP3A4 | |
| SCHEMBL21179401 | 0.79 | TSHR (0.46) | ALDH1A1LMNAMAPTHPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113387942-A | Pyrazole carboxylic ester compound and application thereof | 沈阳中化农药化工研发有限公司 | 2021-09-14 | — | — | CN | disclosed |
| US-5145502-A | Sulfur containing | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1992-09-08 | — | — | US | disclosed |
| US-5132434-A | Contain thiophene or thiopyran ring | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1992-07-21 | — | — | US | disclosed |