Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 2/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 2/20 | 0.40 |
| ▸ | PPARA | Q07869 | 2/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | PTPN7 | P35236 | 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 | |
|---|---|---|---|---|
| SCHEMBL806518 | 0.85 | CYP2A6 (0.54) | CYP2A6CYP1A2LMNAMEN1KMT2A | |
| SCHEMBL9060628 | 0.85 | DRD1 (0.57) | DRD1LMNAMEN1KMT2AALDH1A1 | |
| SCHEMBL8265098 | 0.82 | PPARG (0.56) | DRD1CYP1A2LMNAMEN1KMT2A | |
| SCHEMBL23555855 | 0.80 | CYP1A2 (0.72) | CYP2A6CYP1A2LMNATDP1ALDH1A1 | |
| SCHEMBL9225340 | 0.78 | DRD1 (0.44) | DRD1LMNAMEN1KMT2ATDP1 | |
| SCHEMBL3166764 | 0.78 | CYP1A2 (0.46) | DRD1CYP2A6CYP1A2LMNAMEN1 | |
| SCHEMBL3168591 | 0.78 | CYP1A2 (0.46) | DRD1CYP2A6CYP1A2LMNAMEN1 | |
| SCHEMBL19287326 | 0.78 | CYP1A2 (0.68) | CYP2A6CYP1A2LMNATDP1ALDH1A1 | |
| SCHEMBL9187014 | 0.78 | CYP1A2 (0.68) | CYP2A6CYP1A2LMNATDP1ALDH1A1 | |
| SCHEMBL256789 | 0.78 | LMNA (0.50) | DRD1LMNAMEN1KMT2ATDP1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5536442-A | ELECTROOPTICS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1996-07-16 | — | — | US | disclosed |
| US-5389292-A | Liquid crystalline media having positive dielctric anisotropy, chemical, heat and radiation resistance, used as electro-optical displaying | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1995-02-14 | — | — | US | disclosed |
| CN-1023699-C | Difluoromethyl compounds | MERCK PATENT GMBH (DE) | 1994-02-09 | — | — | CN | disclosed |
| EP-0381728-B1 | DIFLUOROMETHYL COMPOUNDS | MERCK PATENT GMBH (DE) | 1993-12-08 | — | — | EP | disclosed |
| CN-1039797-A | difluoromethyl compound | MERCK PATENT GMBH (DE) | 1990-02-21 | — | — | CN | disclosed |