Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | TACR1 | P25103 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | MME | P08473 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | PAM | P19021 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL328715 | 0.84 | TACR1 (0.60) | ATMTACR1ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL284864 | 0.84 | TACR1 (0.60) | ATMTACR1ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL17633984 | 0.82 | MME (0.53) | MMECYP1A2 | |
| SCHEMBL8385283 | 0.82 | MME (0.53) | MMECYP1A2 | |
| SCHEMBL6716240 | 0.81 | CTSL (0.53) | ATMTACR1ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL6589100 | 0.81 | CTSL (0.53) | ATMTACR1ALDH1A1CYP2C9CYP2C19 | |
| Bromide SCHEMBL9748890 | 0.81 | MME (0.51) | MMECYP1A2 | |
| Bromide SCHEMBL9748887 | 0.81 | MME (0.51) | MMECYP1A2 | |
| SCHEMBL6588838 | 0.80 | TACR1 (0.60) | TACR1ALDH1A1CTSLCTSSCTSK | |
| SCHEMBL9054488 | 0.78 | CYP1A2 (0.44) | EPHX1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108003028-A | Multi-unsaturated carboxylic acid's ester is synthesized by starting material of 1,3- dichloroisopropanols | 王建华 | 2018-05-08 | — | — | CN | disclosed |