Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CASP6 | P55212 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31509923 | 1.00 | CYP2A6 (0.41) | CYP2A6CASP6GRM5MCL1HRH3 | |
| SCHEMBL13428897 | 0.82 | ADRA2C (0.40) | CASP6GRM5ALDH1A1RAB9AHTR2A | |
| SCHEMBL17827959 | 0.82 | GRM5 (0.41) | CASP6GRM5ALDH1A1KDM4ENPC1 | |
| SCHEMBL31510053 | 0.80 | TRPV1 (0.41) | CASP6GRM5SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL23799304 | 0.80 | GRM5 (0.55) | CASP6GRM5HRH3SLC6A4SLC6A2 | |
| SCHEMBL317954 | 0.80 | AOC1 (0.43) | CASP6GRM5ALDH1A1PDCD1CD274 | |
| SCHEMBL29907732 | 0.80 | AOC1 (0.43) | CASP6GRM5ALDH1A1PDCD1CD274 | |
| SCHEMBL317953 | 0.80 | GRM5 (0.37) | CASP6GRM5HRH3ALDH1A1KDM4E | |
| SCHEMBL20457772 | 0.80 | GRM5 (0.37) | CASP6GRM5HRH3ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL11525180 | 0.80 | GRM5 (0.41) | GRM5ALDH1A1KDM4ENPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-11040958-B2 | Triazole antimicrobial derivative, pharmaceutical composition and use thereof | WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) | 2021-06-22 | — | — | US | disclosed |
| US-20190038621-A1 | POSACONAZOLE DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE THEREOF | WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) | 2019-02-07 | — | — | US | disclosed |
| WO-2010030967-A1 | 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS | WYETH LLC (US) | 2010-03-18 | — | — | WO | disclosed |
| US-20100068204-A1 | 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS | WYETH (US) | 2010-03-18 | — | — | 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 (3 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-20190038621-A1 | POSACONAZOLE DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE THEREOF | CYP3A43, ERG28, SORD | CYP2A6 456/4885CASP6 2855/4885GRM5 4565/4885 |
| US-11040958-B2 | Triazole antimicrobial derivative, pharmaceutical composition and use thereof | SLCO1B3, CYP3A43, GSK3B | CYP2A6 1374/4885CASP6 2556/4885GRM5 4173/4885 |
| US-20100068204-A1 | 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS | MTOR, RICTOR, PIK3CA | CYP2A6 1684/4885CASP6 1211/4885GRM5 3543/4885 |
“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.