Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | SOD1 | P00441 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | PNMT | P11086 | 1/20 | 0.35 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.35 |
| ▸ | TERT | O14746 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 2/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL226109 | 0.78 | CYP2A6 (0.47) | CYP1A2CYP2A6TSHRLMNAALDH1A1 | |
| SCHEMBL28715207 | 0.78 | CYP1A2 (0.47) | CYP1A2CYP2A6TSHRLMNAALDH1A1 | |
| SCHEMBL10378510 | 0.73 | CYP1A2 (0.43) | CYP1A2CYP2A6TSHRLMNAALDH1A1 | |
| SCHEMBL5594805 | 0.73 | CYP1A2 (0.43) | CYP1A2CYP2A6TSHRLMNAALDH1A1 | |
| SCHEMBL5594801 | 0.73 | CYP1A2 (0.43) | CYP1A2CYP2A6TSHRLMNAALDH1A1 | |
| SCHEMBL24211432 | 0.73 | CYP1A2 (0.43) | CYP1A2CYP2A6TSHRLMNAALDH1A1 | |
| SCHEMBL9018802 | 0.69 | CYP1A2 (0.39) | CYP1A2CYP2A6TSHRLMNAALDH1A1 | |
| SCHEMBL4129001 | 0.69 | TSHR (0.44) | CYP1A2CYP2A6TSHRLMNAALDH1A1 | |
| SCHEMBL9264116 | 0.67 | ALDH1A1 (0.39) | CYP1A2CYP2A6TSHRLMNAALDH1A1 | |
| SCHEMBL14290259 | 0.67 | CYP1A2 (0.38) | CYP1A2CYP2A6TSHRLMNAALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3094325-B1 | HETEROARYLS AND USES THEREOF | TAKEDA PHARMACEUTICALS CO (JP) | 2021-10-13 | — | — | EP | disclosed |
| US-20090192190-A1 | Benzoic Acid Derivatives that are Modulators or Agonists of GlyR | ASTRAZENECA AB (SE) | 2009-07-30 | — | — | US | disclosed |
| EP-1890993-A2 | BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR ANTAGONISTS OF GLYR | AstraZeneca AB (SE) | 2008-02-27 | — | — | EP | disclosed |
| WO-2006121390-A2 | BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR AGONISTS OF GLYR | ASTRAZENECA AB (SE) | 2006-11-16 | — | — | WO | 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-20090192190-A1 | Benzoic Acid Derivatives that are Modulators or Agonists of GlyR | GLRA1, GLRB, GPBAR1 | CYP1A2 630/4885CYP2A6 522/4885TSHR 309/4885 |
“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.