Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 8/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 7/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | S100B | P04271 | 1/20 | 0.42 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | THRB | P10828 | 3/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | RAD52 | P43351 | 2/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL3377615 | 0.87 | CYP3A4 (0.48) | CYP3A4TDP1ALDH1A1TSHRESR1 | |
| SCHEMBL3901229 | 0.83 | CYP3A4 (0.45) | CYP3A4TDP1ALDH1A1TSHRESR1 | |
| SCHEMBL3893387 | 0.83 | CYP3A4 (0.45) | CYP3A4TDP1ALDH1A1TSHRESR1 | |
| SCHEMBL3910479 | 0.83 | CYP3A4 (0.45) | CYP3A4TDP1ALDH1A1TSHRESR1 | |
| SCHEMBL378246 | 0.82 | ALDH1A1 (0.52) | CYP3A4TDP1ALDH1A1TSHRESR1 | |
| SCHEMBL5958674 | 0.82 | CYP3A4 (0.43) | CYP3A4TDP1ALDH1A1TSHRESR1 | |
| SCHEMBL3898991 | 0.81 | CYP3A4 (0.46) | CYP3A4TDP1ALDH1A1TSHRESR1 | |
| SCHEMBL6666746 | 0.80 | CYP3A4 (0.42) | CYP3A4TDP1ALDH1A1TSHRESR1 | |
| SCHEMBL5958694 | 0.80 | CYP3A4 (0.42) | CYP3A4TDP1ALDH1A1TSHRESR1 | |
| SCHEMBL23644120 | 0.80 | CYP3A4 (0.50) | CYP3A4TDP1ALDH1A1TSHRESR1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1418169-B1 | Process for the preparation of polyhalogenoalkylaryl compounds | SALTIGO GMBH (DE) | 2009-02-25 | — | — | EP | claimed |
| US-7041852-B2 | Perfluoroalkylanilines | BAYER CHEMICALS AG (DE) | 2006-05-09 | — | — | US | claimed |
| US-20040152898-A1 | Perfluoroalkylanilines | LANXESS DEUTSCHLAND GMBH (DE) | 2004-08-05 | — | — | US | claimed |
| US-20040092762-A1 | Polyhaloalkylaryls | LANXESS DEUTSCHLAND GMBH (DE) | 2004-05-13 | — | — | US | claimed |
| EP-1418169-A2 | Polyhalogenoalkylaryl compounds | Bayer Chemicals AG (DE) | 2004-05-12 | — | — | EP | claimed |
| EP-1418171-A1 | Perfluoroalkylanilins | Bayer Chemicals AG (DE) | 2004-05-12 | — | — | EP | claimed |
| EP-1418171-B1 | Verfahren zur Herstellung von Perfluoroalkylanilins | SALTIGO GMBH (DE) | 2011-12-14 | — | — | EP | disclosed |
| EP-1418169-B1 | Process for the preparation of polyhalogenoalkylaryl compounds | SALTIGO GMBH (DE) | 2009-02-25 | — | — | EP | disclosed |
| US-7041852-B2 | Perfluoroalkylanilines | BAYER CHEMICALS AG (DE) | 2006-05-09 | — | — | US | disclosed |
| US-20040152898-A1 | Perfluoroalkylanilines | LANXESS DEUTSCHLAND GMBH (DE) | 2004-08-05 | — | — | US | disclosed |
| US-20040092762-A1 | Polyhaloalkylaryls | LANXESS DEUTSCHLAND GMBH (DE) | 2004-05-13 | — | — | US | disclosed |
| EP-1418169-A2 | Polyhalogenoalkylaryl compounds | Bayer Chemicals AG (DE) | 2004-05-12 | — | — | EP | disclosed |
| EP-1418171-A1 | Perfluoroalkylanilins | Bayer Chemicals AG (DE) | 2004-05-12 | — | — | 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 (2 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-20040092762-A1 | Polyhaloalkylaryls | LIPA, PCBP1, ABHD16A | CYP3A4 817/4885TDP1 1806/4885ALDH1A1 2206/4885 |
| US-20040152898-A1 | Perfluoroalkylanilines | PFAS, AFF2, AFF4 | CYP3A4 97/4885TDP1 2722/4885ALDH1A1 1098/4885 |
“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.