Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | CPA1 | P15085 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | MMP1 | P03956 | 2/20 | 0.33 |
| ▸ | MMP2 | P08253 | 2/20 | 0.33 |
| ▸ | MMP9 | P14780 | 2/20 | 0.33 |
| ▸ | MMP8 | P22894 | 2/20 | 0.33 |
| ▸ | MMP13 | P45452 | 2/20 | 0.33 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10731618 | 0.80 | EPHX1 (0.34) | EPHX1CPA1TAAR1SLC6A2SIGMAR1 | |
| SCHEMBL31433296 | 0.79 | MTNR1A (0.39) | EPHX1CPA1ALDH1A1SLC6A2SIGMAR1 | |
| SCHEMBL9854342 | 0.78 | EPHX1 (0.35) | EPHX1CPA1TAAR1SLC6A2SIGMAR1 | |
| SCHEMBL10489340 | 0.76 | CYP1A2 (0.56) | CPA1CYP1A2 | |
| SCHEMBL29173885 | 0.73 | CPA1 (0.35) | EPHX1CPA1TAAR1SLC6A2SIGMAR1 | |
| SCHEMBL18918251 | 0.73 | HTR2A (0.37) | TSHRTAAR1SLC6A3CYP2D6 | |
| SCHEMBL7252952 | 0.71 | EPHX1 (0.55) | EPHX1TRPA1ALDH1A1TSHRTAAR1 | |
| SCHEMBL9854396 | 0.70 | EPHX2 (0.46) | CPA1ALDH1A1MMP8CYP1A2 | |
| SCHEMBL9849222 | 0.69 | CES1 (0.41) | TRPA1ALDH1A1TSHRTAAR1MAOA | |
| SCHEMBL9220176 | 0.69 | TSHR (0.35) | TSHR |
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-0252736-B1 | PROCESS FOR PREPARING FLUORINE-CONTAINING CARBOXYLIC ACID ESTER | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1991-07-24 | — | — | EP | disclosed |
| EP-0252736-A2 | Process for preparing fluorine-containing carboxylic acid ester | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1988-01-13 | — | — | EP | disclosed |