Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.37 |
| ▸ | C1S | P09871 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | TGM2 | P21980 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21691192 | 0.98 | PARP1 (0.42) | PARP1ALDH1A1MAPK1HSD17B3C1S | |
| SCHEMBL11615314 | 0.82 | L3MBTL1 (0.44) | PARP1ALDH1A1HSD17B3L3MBTL1 | |
| SCHEMBL10775693 | 0.81 | HPGD (0.32) | ALDH1A1HPGDCA14 | |
| SCHEMBL5632527 | 0.75 | CYP2A6 (0.45) | ALDH1A1NPC1RAB9AL3MBTL1 | |
| SCHEMBL1584059 | 0.74 | CES2 (0.43) | PARP1IDO1MGLLMMP2CA14 | |
| SCHEMBL1466275 | 0.74 | CYP1A2 (0.44) | PARP1ALDH1A1TP53NPC1RAB9A | |
| SCHEMBL1585001 | 0.74 | ACHE (0.46) | PARP1ALDH1A1MAPK1GAA | |
| SCHEMBL7514462 | 0.74 | FAAH (0.34) | IDO1RAB9AMGLL | |
| SCHEMBL7515941 | 0.74 | ALDH1A1 (0.39) | PARP1ALDH1A1MAPK1HSD17B3C1S | |
| SCHEMBL24863821 | 0.73 | ALDH1A1 (0.50) | PARP1ALDH1A1CA1CA14 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107540586-A | A kind of preparation method of the thioaryl sulphonic acid ester of difluoromethyl substitution | 中国科学院上海有机化学研究所 | 2018-01-05 | — | — | CN | disclosed |
| CN-105906537-B | （Z）The One-step Synthesis method of formula sulfonyl enoic acid ester compounds | 湖南科技学院 | 2017-12-15 | — | — | CN | disclosed |
| CN-105985274-B | Thioaryl sulphonic acid ester, its preparation method and the application of difluoromethyl substitution | 中国科学院上海有机化学研究所 | 2017-11-07 | — | — | CN | disclosed |
| CN-105985274-A | Difluoromethyl-substituted sulfoaryl sulfonate, and preparation method and application thereof | 中国科学院上海有机化学研究所 | 2016-10-05 | — | — | CN | disclosed |
| EP-1231197-A1 | Process for producing allyl halide compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-08-14 | — | — | EP | disclosed |
| US-20020107422-A1 | Process for producing allyl halide compound | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2002-08-08 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20020107422-A1 | Process for producing allyl halide compound | ENY2, ZYX, RPS4Y1 | PARP1 779/4885ALDH1A1 1133/4885MAPK1 708/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.