Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | CMA1 | P23946 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17188141 | 0.82 | CYP3A4 (0.48) | CYP3A4ALDH1A1HSD17B10TDP1ABCG2 | |
| SCHEMBL789738 | 0.73 | CYP3A4 (0.54) | CYP3A4ALDH1A1HSD17B10TDP1ABCG2 | |
| SCHEMBL921252 | 0.68 | CYP3A4 (0.54) | CYP3A4ALDH1A1HSD17B10TDP1ABCG2 | |
| SCHEMBL1045633 | 0.68 | CYP3A4 (0.54) | CYP3A4ALDH1A1HSD17B10TDP1ABCG2 | |
| SCHEMBL5682293 | 0.68 | CYP3A4 (0.54) | CYP3A4ALDH1A1HSD17B10TDP1ABCG2 | |
| SCHEMBL8163694 | 0.68 | CYP3A4 (0.54) | CYP3A4ALDH1A1HSD17B10TDP1ABCG2 | |
| SCHEMBL8530719 | 0.68 | CYP3A4 (0.54) | CYP3A4ALDH1A1HSD17B10TDP1ABCG2 | |
| SCHEMBL20959 | 0.68 | CYP3A4 (1.00) | CYP3A4ALDH1A1HSD17B10TDP1ABCG2 | |
| SCHEMBL22162812 | 0.68 | CA12 (0.58) | CYP3A4ALDH1A1HSD17B10TDP1MAPT | |
| SCHEMBL4398810 | 0.68 | CYP3A4 (0.54) | CYP3A4ALDH1A1HSD17B10TDP1ABCG2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7781599-B2 | economical; nontoxic; high yield; industrial scale; Grignard reaction; iron catalyst (FeCl3) and a diamine (ethylenediamine); cross-coupling of alkyl halide and aromatic organometallic; primary or secondary alkyl substituents; phenylcycloheptane from bromocycloheptane and phenyl magnesium bromide | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2010-08-24 | — | — | US | disclosed |
| US-20070123734-A1 | Process for production of aromatic compounds | JAPAN SCIENCE AND TECHNOLOGY AGENCY | 2007-05-31 | — | — | US | disclosed |
| EP-1724248-A1 | PROCESS FOR PRODUCTION OF AROMATIC COMPOUNDS | Japan Science and Technology Agency (JP) | 2006-11-22 | — | — | EP | 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-20070123734-A1 | Process for production of aromatic compounds | C9, C5, C1S | CYP3A4 95/4885ALDH1A1 2363/4885HSD17B10 1266/4885 |
“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.