Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL249690 | 0.77 | CYP2A6 (0.50) | CYP2A6HTR2ACYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL15111083 | 0.74 | CYP2A6 (0.47) | CYP2A6HTR2ACYP1A2CYP2C19PYCR1 | |
| SCHEMBL21994503 | 0.74 | IDO1 (0.44) | HTR2ACYP1A2CYP2C19ALDH1A1CYP19A1 | |
| SCHEMBL28843413 | 0.72 | TYR (0.42) | PYCR1ALDH1A1MAPK1 | |
| SCHEMBL21994332 | 0.72 | TSHR (0.46) | CYP2A6CYP2C19ALDH1A1MAPK1CYP19A1 | |
| SCHEMBL28920988 | 0.72 | CYP2A6 (0.44) | CYP2A6HTR2ACYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL16426371 | 0.72 | CYP2A6 (0.44) | CYP2A6HTR2ACYP1A2PYCR1ALDH1A1 | |
| SCHEMBL1006001 | 0.72 | ALOX5 (0.45) | CYP2A6HTR2ACYP1A2CYP2C19PYCR1 | |
| SCHEMBL6017278 | 0.72 | ACHE (0.44) | CYP2A6ALDH1A1CYP19A1ALOX5TDP1 | |
| SCHEMBL219761 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230165252-A1 | ACTIVE COMPOUND COMBINATIONS | BAYER AKTIENGESELLSCHAFT (DE) | 2023-06-01 | — | — | US | disclosed |
| US-20230054449-A1 | PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 2023-02-23 | — | — | US | disclosed |
| EP-3887362-A1 | PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS | Bayer Aktiengesellschaft (DE) | 2021-10-06 | — | — | EP | disclosed |
| WO-2020109391-A1 | PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 2020-06-04 | — | — | WO | disclosed |
| EP-1551834-A4 | SUBSTITUTED QUINAZOLINONE COMPOUNDS | CHIRON CORP (US) | 2006-08-23 | — | — | EP | disclosed |
| EP-1551834-A1 | SUBSTITUTED QUINAZOLINONE COMPOUNDS | CHIRON CORPORATION (US) | 2005-07-13 | — | — | EP | disclosed |
| WO-2003099818-A1 | SUBSTITUTED QUINAZOLINONE COMPOUNDS | CHIRON CORPORATION (US) | 2003-12-04 | — | — | 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 (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-20230165252-A1 | ACTIVE COMPOUND COMBINATIONS | CYP51A1, ERG28, BROX | CYP2A6 370/4885HTR2A 4766/4885CYP1A2 38/4885 |
| US-20230054449-A1 | PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS | PNPO, TPMT, BLVRB | CYP2A6 405/4885HTR2A 1817/4885CYP1A2 39/4885 |
“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.