Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | APP | P05067 | 1/20 | 0.52 |
| ▸ | PRKAB2 | O43741 | 3/20 | 0.52 |
| ▸ | PRKAG1 | P54619 | 3/20 | 0.52 |
| ▸ | PRKAA2 | P54646 | 3/20 | 0.52 |
| ▸ | PRKAA1 | Q13131 | 3/20 | 0.52 |
| ▸ | PRKAG3 | Q9UGI9 | 3/20 | 0.52 |
| ▸ | PRKAG2 | Q9UGJ0 | 3/20 | 0.52 |
| ▸ | PRKAB1 | Q9Y478 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28188901 | 0.89 | SMN1; SMN2 (0.62) | SMN1; SMN2CYP2C19APPPRKAB2PRKAG1 | |
| SCHEMBL18873501 | 0.84 | HSD17B10 (0.53) | SMN1; SMN2CYP2C19KDM4EALDH1A1GAA | |
| SCHEMBL22561016 | 0.82 | CA12 (0.52) | SMN1; SMN2CYP2C19APPKDM4ECYP1A2 | |
| SCHEMBL9419340 | 0.81 | SMN1; SMN2 (0.47) | SMN1; SMN2PRKAB2PRKAG1PRKAA2PRKAA1 | |
| SCHEMBL505335 | 0.81 | KDM4E (0.50) | CYP2C19APPKDM4EALDH1A1CYP2C9 | |
| SCHEMBL9419305 | 0.81 | RARB (0.53) | SMN1; SMN2PRKAB2PRKAG1PRKAA2PRKAA1 | |
| SCHEMBL12822797 | 0.81 | CYP2C19 (0.51) | SMN1; SMN2CYP2C19APPPRKAB2PRKAG1 | |
| SCHEMBL30585141 | 0.80 | BCL2L1 (0.52) | KDM4EALDH1A1CYP2C9HPGDCA1 | |
| SCHEMBL5571280 | 0.80 | HSD17B10 (0.59) | SMN1; SMN2CYP2C19APPKDM4EALDH1A1 | |
| SCHEMBL26639280 | 0.80 | BCL2L1 (0.52) | KDM4EALDH1A1CYP2C9HPGDCA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0363458-B1 | 2,3-DIFLUOROBENZENES | MERCK PATENT GMBH (DE) | 1994-08-03 | — | — | EP | disclosed |
| US-5087764-A | Deprotonation of a 1-substituted-2,3-difluorobenzene using an organometallic compound and reacting the reaction product with an electrophile | Merck Patent Gesellschaft mit beschrankter Hafung (DE) | 1992-02-11 | — | — | US | disclosed |