Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | KIF11 | P52732 | 5/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.39 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10505123 | 0.88 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19TAAR1KIF11 | |
| Hydrochloric Acid SCHEMBL10674080 | 0.86 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19TAAR1KIF11 | |
| SCHEMBL7943831 | 0.85 | CYP2C19 (0.58) | CYP1A2CYP2C9CYP2C19TAAR1KCNN4 | |
| SCHEMBL1292634 | 0.80 | TAAR1 (0.50) | CYP1A2CYP2C9CYP2C19TAAR1KIF11 | |
| Alcohol SCHEMBL1532264 | 0.78 | TAAR1 (0.44) | CYP1A2CYP2C9CYP2C19TAAR1KIF11 | |
| SCHEMBL6481609 | 0.77 | CYP2C19 (0.50) | CYP1A2CYP2C9CYP2C19TAAR1CHRM3 | |
| SCHEMBL13946505 | 0.77 | CYP2C19 (0.50) | CYP1A2CYP2C9CYP2C19TAAR1CHRM3 | |
| SCHEMBL28576999 | 0.77 | CYP2C19 (0.50) | CYP1A2CYP2C9CYP2C19TAAR1CHRM3 | |
| SCHEMBL10813669 | 0.77 | CYP2C19 (0.50) | CYP1A2CYP2C9CYP2C19CHRM3KCNN4 | |
| SCHEMBL6481604 | 0.77 | CYP2C19 (0.50) | CYP1A2CYP2C9CYP2C19TAAR1CHRM3 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105503559-B | A kind of method for preparing black nightshade aldehyde | 上海应用技术学院 | 2017-06-23 | — | — | CN | disclosed |
| CN-105591149-A | Rechargeable battery and electrolyte composition thereof | A123 SYSTEMS LLC | 2016-05-18 | — | — | CN | disclosed |
| CN-105591150-A | Nonaqueous electrolyte solution, rechargeable battery, micro-hybrid battery, and battery system | A123 SYSTEMS LLC | 2016-05-18 | — | — | CN | disclosed |
| CN-105503559-A | Method for preparing hydratropic aldehyde | SHANGHAI INST TECHNOLOGY | 2016-04-20 | — | — | CN | disclosed |
| CN-104591986-A | Method for preparing hydratropic aldehyde | SHANGHAI INST TECHNOLOGY | 2015-05-06 | — | — | CN | disclosed |
| WO-2001040193-A1 | METHOD FOR THE SYNTHESIS OF PYRAZOLINES | CHEMRX ADVANCED TECHNOLOGIES, INC. (US) | 2001-06-07 | — | — | WO | disclosed |
| CN-1016963-B | HERBICIDE COMPOSITION CONTG. BENZENE SULFONAMIDE AS ACTIVE INGREDIENT | MITSUBISHI CHEM IND (JP) | 1992-06-10 | — | — | CN | disclosed |
| CN-1036564-A | Sulfanilamide (SN) and contain the weedkiller of sulfanilamide (SN) as activeconstituents | MITSUBISHI CHEM IND (JP) | 1989-10-25 | — | — | CN | disclosed |