Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL954627 | 0.98 | ALDH1A1 (0.34) | ALDH1A1CYP3A4ABCB11LMNACYP1A2 | |
| SCHEMBL9893522 | 0.98 | ALDH1A1 (0.34) | ALDH1A1CYP3A4ABCB11LMNACYP1A2 | |
| SCHEMBL4824444 | 0.97 | CYP3A4 (0.33) | ALDH1A1CYP3A4ABCB11LMNACYP1A2 | |
| SCHEMBL4856836 | 0.97 | CYP3A4 (0.33) | ALDH1A1CYP3A4ABCB11LMNACYP1A2 | |
| SCHEMBL10417245 | 0.97 | CYP3A4 (0.33) | ALDH1A1CYP3A4ABCB11LMNACYP1A2 | |
| SCHEMBL23494272 | 0.96 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL21027180 | 0.93 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL18068623 | 0.89 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL18068624 | 0.87 | CYP3A4 (0.31) | CYP3A4ABCB11LMNACYP1A2CHRM2 | |
| SCHEMBL18068626 | 0.87 | CYP3A4 (0.31) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6218569-B1 | CATALYTIC ESTERIFICATION REACTION OF ALICYCLIC ALCOHOL AND UNSATURATED CARBOXYLIC ACID; PHOTOSENSITIVITY | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2001-04-17 | — | — | US | disclosed |