Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 7/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 2/20 | 0.45 |
| ▸ | MAOB | P27338 | 2/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | FBP1 | P09467 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 2/20 | 0.42 |
| ▸ | MMP2 | P08253 | 2/20 | 0.42 |
| ▸ | MMP9 | P14780 | 2/20 | 0.42 |
| ▸ | MMP12 | P39900 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6752491 | 1.00 | CACNA1B (0.49) | CACNA1BALOX5PTGS1PTGS2MAOA | |
| SCHEMBL28475356 | 0.89 | CACNA1B (0.50) | CACNA1BALOX5PTGS1PTGS2MAOA | |
| SCHEMBL28475360 | 0.88 | CACNA1B (0.52) | CACNA1BALOX5PTGS1PTGS2MAOA | |
| SCHEMBL27628628 | 0.86 | LCK (0.49) | MAOAMAOBFBP1MMP1MMP2 | |
| SCHEMBL28462136 | 0.85 | CACNA1B (0.47) | CACNA1BALOX5PTGS1PTGS2MAOA | |
| SCHEMBL21100072 | 0.83 | CYP4F2 (0.42) | CACNA1BALOX5PTGS1PTGS2MAOA | |
| SCHEMBL9998507 | 0.83 | NFE2L2 (0.50) | CACNA1BPTGS1PTGS2MAOAMAOB | |
| SCHEMBL9997657 | 0.83 | CYP1A2 (0.53) | CACNA1BMAOAMAOBRELAMMP1 | |
| SCHEMBL9997659 | 0.83 | CYP1A2 (0.53) | CACNA1BMAOAMAOBRELAMMP1 | |
| SCHEMBL9998506 | 0.83 | NFE2L2 (0.50) | CACNA1BPTGS1PTGS2MAOAMAOB |
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 |
|---|---|---|---|---|---|---|---|
| US-8558012-B2 | 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative, production method thereof, and production method of monofluoromethyl group-containing compound using the same | NAGOYA INSTITUTE OF TECHNOLOGY (JP) | 2013-10-15 | — | — | US | disclosed |
| US-20110319637-A1 | 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME | NAGOYA INSTITUTE OF TECHNOLOGY (JP) | 2011-12-29 | — | — | 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-20110319637-A1 | 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME | CBR1, CYP1B1, CYP2F1 | CACNA1B 1372/4885ALOX5 1154/4885PTGS1 683/4885 |
“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.