Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | STAT3 | P40763 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RUNX1 | Q01196 | 1/20 | 0.36 |
| ▸ | CBFB | Q13951 | 1/20 | 0.36 |
| ▸ | TYR | P14679 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8853663 | 0.89 | MAOA (0.39) | ESR1ESR2HSP90AA1MAOAMAOB | |
| SCHEMBL9668468 | 0.84 | ESR2 (0.47) | ESR1ESR2MAOAMAOBSMN1; SMN2 | |
| SCHEMBL9863151 | 0.84 | ESR1 (0.47) | ESR1ESR2MAOAMAOB | |
| SCHEMBL31325259 | 0.79 | SMN1; SMN2 (0.44) | SMN1; SMN2ALDH1A1MAPTHPGDLMNA | |
| SCHEMBL5734495 | 0.79 | SMN1; SMN2 (0.44) | SMN1; SMN2ALDH1A1MAPTHPGDLMNA | |
| SCHEMBL11192340 | 0.78 | TRPA1 (0.43) | HSP90AA1SMN1; SMN2ALDH1A1MAPTHPGD | |
| SCHEMBL10339321 | 0.75 | SMN1; SMN2 (0.41) | SMN1; SMN2 | |
| SCHEMBL9863416 | 0.75 | CYP3A4 (0.36) | SMN1; SMN2CYP3A4 | |
| SCHEMBL9863065 | 0.75 | ESR1 (0.40) | ESR1ESR2SMN1; SMN2 | |
| SCHEMBL186365 | 0.75 | KCNH2 (0.43) | ESR1ESR2SMN1; SMN2MAPT |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1506162-B1 | SYNTHESIS OF BENZONITRILES AND BENZIMIDATES | GENZYME CORP (US) | 2008-11-26 | — | — | EP | disclosed |
| US-6875882-B2 | Synthesis of benzonitriles from substituted benzoic acid | GENZYME CORPORATION (US) | 2005-04-05 | — | — | US | disclosed |
| EP-1506162-A2 | SYNTHESIS OF BENZONITRILES AND BENZIMIDATES | Genzyme Corporation (US) | 2005-02-16 | — | — | EP | disclosed |
| US-20040002613-A1 | Synthesis of benzonitriles from substituted benzoic acid | GENZYME CORPORATION | 2004-01-01 | — | — | US | disclosed |
| WO-2003097582-A2 | SYNTHESIS OF BENZONITRILES AND BENZIMIDATES | GENZYME CORPORATION (US) | 2003-11-27 | — | — | WO | disclosed |
| US-5002960-A | Viricides for combating picornaviruses | STERLING DRUG, INC. (US) | 1991-03-26 | — | — | US | disclosed |
| US-4939267-A | Viricides | STERLING DRUG INC. (US) | 1990-07-03 | — | — | US | disclosed |
| US-4843087-A | OXAZOLINYL COMPOUNDS; RHINOVIRUSES AND PICORNAVIRUSES | STERLING DRUG INC. (US) | 1989-06-27 | — | — | 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-20040002613-A1 | Synthesis of benzonitriles from substituted benzoic acid | FTH1, FGB, TXN2 | ESR1 2581/4885ESR2 1329/4885HSP90AA1 2836/4885 |
“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.