Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | HRH2 | P25021 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | SCN1A | P35498 | 1/20 | 0.31 |
| ▸ | THPO | P40225 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Carbamic Acid SCHEMBL10707146 | 0.91 | CYP3A4 (0.31) | CYP3A4ABCB11LMNACYP1A2CHRM2 | |
| SCHEMBL29397854 | 0.81 | LMNA (0.36) | CYP3A4ABCB11LMNACYP1A2CHRM2 | |
| SCHEMBL714223 | 0.80 | — | — | |
| SCHEMBL8911142 | 0.78 | — | — | |
| SCHEMBL4616111 | 0.77 | CYP1A2 (0.34) | CYP3A4ABCB11LMNACYP1A2CHRM2 | |
| SCHEMBL9319022 | 0.77 | CYP2C19 (0.37) | LMNA | |
| SCHEMBL9006690 | 0.75 | CYP1A2 (0.31) | CYP3A4ABCB11LMNACYP1A2CHRM2 | |
| Formic Acid SCHEMBL28417895 | 0.75 | CYP3A4 (0.35) | CYP3A4ABCB11LMNACYP1A2CHRM2 | |
| SCHEMBL10603446 | 0.73 | HSD17B10 (0.33) | HSD17B10 | |
| SCHEMBL28033065 | 0.72 | LMNA (0.36) | CYP3A4ABCB11LMNACYP1A2CHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0168701-B1 | TERCYCLOHEXYLES | MERCK PATENT GmbH (DE) | 1988-11-02 | — | — | EP | disclosed |
| EP-0168701-A2 | Tercyclohexyles | MERCK PATENT GmbH (DE) | 1986-01-22 | — | — | EP | disclosed |