Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10348257 | 1.00 | DRD2 (0.47) | DRD2SPHK1CYP2C9MAPTGAA | |
| SCHEMBL7732963 | 0.98 | DRD2 (0.46) | DRD2SPHK1CYP2C9MAPTGAA | |
| SCHEMBL548269 | 0.98 | DRD2 (0.49) | DRD2SPHK1CYP2C9MAPTGAA | |
| SCHEMBL548268 | 0.98 | DRD2 (0.49) | DRD2SPHK1CYP2C9MAPTGAA | |
| SCHEMBL28160606 | 0.97 | DRD2 (0.47) | DRD2SPHK1CYP2C9MAPTGAA | |
| SCHEMBL10762922 | 0.95 | DRD2 (0.44) | DRD2SPHK1CYP2C9MAPTGAA | |
| SCHEMBL10763591 | 0.95 | DRD2 (0.44) | DRD2SPHK1CYP2C9MAPTGAA | |
| SCHEMBL10762925 | 0.95 | DRD2 (0.44) | DRD2SPHK1CYP2C9MAPTGAA | |
| SCHEMBL10764774 | 0.95 | DRD2 (0.44) | DRD2SPHK1CYP2C9MAPTGAA | |
| SCHEMBL10767465 | 0.95 | DRD2 (0.44) | DRD2SPHK1CYP2C9MAPTGAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991013850-A1 | 4,4'-DISUBSTITUTED 2',3-DIFLUORBIPHENYLS AND LIQUID CRYSTALLINE MEDIUM | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1991-09-19 | — | — | WO | disclosed |
| EP-0438575-A1 | BENZOL DERIVATIVES AND LIQUID CRYSTALLINE MEDIUM. | MERCK PATENT GMBH (DE) | 1991-07-31 | — | — | EP | disclosed |