Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.71 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.62 |
| ▸ | ESR1 | P03372 | 2/20 | 0.61 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.61 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.61 |
| ▸ | TACR2 | P21452 | 2/20 | 0.61 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.61 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.61 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.61 |
| ▸ | HTR2A | P28223 | 2/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | SHBG | P04278 | 1/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.61 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.61 |
| ▸ | HTR2C | P28335 | 1/20 | 0.61 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL8518570 | 1.00 | KCNH2 (0.71) | KCNH2SIGMAR1ESR1ADRA2AADORA3 | |
| SCHEMBL33437 | 1.00 | KCNH2 (0.71) | KCNH2SIGMAR1ESR1ADRA2AADORA3 | |
| SCHEMBL8679386 | 1.00 | KCNH2 (0.71) | KCNH2SIGMAR1ESR1ADRA2AADORA3 | |
| SCHEMBL4932286 | 1.00 | KCNH2 (0.71) | KCNH2SIGMAR1ESR1ADRA2AADORA3 | |
| SCHEMBL8678550 | 1.00 | KCNH2 (0.71) | KCNH2SIGMAR1ESR1ADRA2AADORA3 | |
| Benzene SCHEMBL8518614 | 1.00 | KCNH2 (0.71) | KCNH2SIGMAR1ESR1ADRA2AADORA3 | |
| SCHEMBL1619768 | 1.00 | KCNH2 (0.71) | KCNH2SIGMAR1ESR1ADRA2AADORA3 | |
| SCHEMBL29401 | 1.00 | KCNH2 (0.71) | KCNH2SIGMAR1ESR1ADRA2AADORA3 | |
| SCHEMBL1331102 | 1.00 | KCNH2 (0.71) | KCNH2SIGMAR1ESR1ADRA2AADORA3 | |
| SCHEMBL8614349 | 1.00 | KCNH2 (0.71) | KCNH2SIGMAR1ESR1ADRA2AADORA3 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2536683-A1 | METHOD FOR PREPARING CHEMICAL COMPOUNDS OF INTEREST BY AROMATIC NUCLEOPHILIC SUBSTITUTION | Centre National De La Recherche Scientifique (FR) | 2012-12-26 | — | — | EP | disclosed |
| US-20120316337-A1 | METHOD FOR PREPARING CHEMICAL COMPOUNDS OF INTEREST BY NUCLEOPHILIC AROMATIC SUBSTITUTION OF AROMATIC CARBOXYLIC ACID DERIVATIVES SUPPORTING AT LEAST ONE ELECTRO-ATTRACTIVE GROUP | UNIVERSITE DU MAINE (FR) | 2012-12-13 | — | — | US | disclosed |
| WO-2011101599-A1 | METHOD FOR PREPARING CHEMICAL COMPOUNDS OF INTEREST BY AROMATIC NUCLEOPHILIC SUBSTITUTION | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2011-08-25 | — | — | WO | disclosed |
| EP-0650956-B1 | Triphenylamine derivatives, and charge-transporting materials and electrophotographic photoreceptors containing such derivatives | TAKASAGO PERFUMERY CO LTD (JP) | 1998-07-15 | — | — | EP | disclosed |
| US-5573878-A | HIGH CHARGING POTENTIALS, HIGH CARRIER MOBILITY | TAKASAGO INTERNATIONAL CORPORATION (JP) | 1996-11-12 | — | — | US | disclosed |
| US-5567560-A | Triphenylamine derivative charge-transporting material containing electrophotographic photoreceptor | TAKASAGO INTERNATIONAL CORPORATION (JP) | 1996-10-22 | — | — | US | disclosed |
| EP-0650956-A1 | Triphenylamine derivatives, and charge-transporting materials and electrophotographic photoreceptors containing such derivatives | Takasago International Corporation (JP) | 1995-05-03 | — | — | 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-20120316337-A1 | METHOD FOR PREPARING CHEMICAL COMPOUNDS OF INTEREST BY NUCLEOPHILIC AROMATIC SUBSTITUTION OF AROMATIC CARBOXYLIC ACID DERIVATIVES SUPPORTING AT LEAST ONE ELECTRO-ATTRACTIVE GROUP | COMT, NAA15, NUDC | KCNH2 110/4885SIGMAR1 2470/4885ESR1 1025/4885 |
“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.