Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL6278928 | 0.94 | HPGD (0.34) | CYP1A2NAAAHPGDKMT2AMAPT | |
| SCHEMBL504003 | 0.93 | CYP1A2 (0.41) | CYP1A2NAAAPKMHPGDHTT | |
| SCHEMBL1896640 | 0.91 | HTT (0.40) | CYP1A2NAAAPKMHTTMEN1 | |
| SCHEMBL5862504 | 0.91 | HTT (0.40) | CYP1A2NAAAPKMHTTMEN1 | |
| SCHEMBL11290481 | 0.91 | HTT (0.40) | CYP1A2NAAAPKMHTTMEN1 | |
| SCHEMBL8975284 | 0.91 | HTT (0.40) | CYP1A2NAAAPKMHTTMEN1 | |
| SCHEMBL1893345 | 0.91 | CYP1A2 (0.47) | CYP1A2NAAAPKMHPGDHTT | |
| SCHEMBL4159287 | 0.89 | TLR4 (0.35) | HPGDCYP2C9 | |
| SCHEMBL4159832 | 0.88 | CYP1A2 (0.37) | CYP1A2NAAAPKMHPGDHTT | |
| SCHEMBL4170126 | 0.86 | CYP1A2 (0.42) | CYP1A2NAAAPKMHPGDHTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0846670-A1 | CYCLOHEXANE DERIVATIVES AND LIQUID-CRYSTAL COMPOSITIONS | CHISSO CORPORATION (JP) | 1998-06-10 | — | — | EP | disclosed |