Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | NAAA | Q02083 | 10/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | FKBP1A | P62942 | 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 | |
|---|---|---|---|---|
| SCHEMBL5215905 | 0.88 | CYP1A2 (0.58) | CYP1A2NAAASIGMAR1EPHX1KDM4E | |
| SCHEMBL23014969 | 0.86 | CYP1A2 (0.56) | CYP1A2NAAASIGMAR1EPHX1KDM4E | |
| SCHEMBL24489452 | 0.86 | CYP1A2 (0.54) | CYP1A2NAAASIGMAR1EPHX1KDM4E | |
| SCHEMBL11098067 | 0.85 | ALDH1A1 (0.42) | CYP1A2EPHX1 | |
| SCHEMBL11096255 | 0.85 | CYP1A2 (0.45) | CYP1A2NAAAEPHX1POLB | |
| SCHEMBL11098636 | 0.85 | ALDH1A1 (0.42) | CYP1A2EPHX1 | |
| SCHEMBL23014863 | 0.84 | CYP1A2 (0.52) | CYP1A2NAAASIGMAR1EPHX1KDM4E | |
| SCHEMBL23014799 | 0.84 | CYP1A2 (0.39) | CYP1A2NAAASIGMAR1 | |
| SCHEMBL18902841 | 0.84 | CYP1A2 (0.39) | CYP1A2NAAASIGMAR1 | |
| SCHEMBL11093453 | 0.83 | CYP1A2 (0.42) | CYP1A2EPHX1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0281611-B1 | LIQUID CRYSTAL PHASES FOR ELECTRO-OPTIC DISPLAY ELEMENTS BASED ON THE ECB EFFECT | MERCK PATENT GMBH (DE) | 1993-11-24 | — | — | EP | disclosed |
| US-5143642-A | Thiadiazoles | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-09-01 | — | — | US | disclosed |
| EP-0281611-A1 | LIQUID CRYSTAL PHASES FOR ELECTRO-OPTIC DISPLAY ELEMENTS BASED ON THE ECB EFFECT. | MERCK PATENT GMBH (DE) | 1988-09-14 | — | — | EP | disclosed |