Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | LSS | P48449 | 2/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | GBA1 | P04062 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | NAAA | Q02083 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10450198 | 1.00 | CYP1A2 (0.37) | CYP1A2EPHX2LSSPKMGBA1 | |
| SCHEMBL10451349 | 1.00 | CYP1A2 (0.37) | CYP1A2EPHX2LSSPKMGBA1 | |
| SCHEMBL10451348 | 1.00 | CYP1A2 (0.37) | CYP1A2EPHX2LSSPKMGBA1 | |
| SCHEMBL10450673 | 0.97 | CYP1A2 (0.41) | CYP1A2EPHX2GBA1HTT | |
| SCHEMBL10449476 | 0.97 | CYP1A2 (0.37) | CYP1A2LSSPKMMEN1HTT | |
| SCHEMBL10451096 | 0.97 | CYP1A2 (0.37) | CYP1A2LSSPKMMEN1HTT | |
| SCHEMBL10450672 | 0.97 | CYP1A2 (0.41) | CYP1A2EPHX2GBA1HTT | |
| SCHEMBL10450365 | 0.97 | CYP1A2 (0.41) | CYP1A2EPHX2GBA1HTT | |
| SCHEMBL10450367 | 0.97 | CYP1A2 (0.41) | CYP1A2EPHX2GBA1HTT | |
| SCHEMBL10449478 | 0.97 | CYP1A2 (0.37) | CYP1A2LSSPKMMEN1HTT |
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 |
|---|---|---|---|---|---|---|---|
| US-4943384-A | LIQUID CRYSTALS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1990-07-24 | — | — | US | disclosed |
| EP-0216880-B1 | CYCLOHEXANE DERIVATIVES | MERCK PATENT GmbH (DE) | 1988-11-02 | — | — | EP | disclosed |