Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL26633904 | 0.78 | TAAR1 (0.47) | ALDH1A1TAAR1CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL28044187 | 0.77 | TAAR1 (0.45) | ALDH1A1TAAR1CA12CA1CA2 | |
| SCHEMBL1132364 | 0.76 | TAAR1 (0.44) | ALDH1A1TAAR1AOC3CA12CA1 | |
| SCHEMBL15473812 | 0.76 | CA1 (0.48) | ALDH1A1AOC3CA12CA1CA2 | |
| SCHEMBL21632350 | 0.73 | GAA (0.44) | ALDH1A1TAAR1CA12CA1CA2 | |
| SCHEMBL23886282 | 0.73 | CA1 (0.44) | ALDH1A1TAAR1CA12CA1CA2 | |
| SCHEMBL4934040 | 0.72 | AOC3 (0.40) | ALDH1A1TAAR1AOC3CA12CA1 | |
| Hydrochloric Acid SCHEMBL9275355 | 0.71 | CA1 (0.43) | ALDH1A1TAAR1CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL29681943 | 0.71 | CA1 (0.43) | ALDH1A1TAAR1CA12CA1CA2 | |
| SCHEMBL4631777 | 0.71 | CA1 (0.52) | ALDH1A1TAAR1CA12CA1CA2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080076774-A1 | Kinase Modulators and Methods of Use | EXELIXIS, INC. (US) | 2008-03-27 | — | — | 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-20080076774-A1 | Kinase Modulators and Methods of Use | AKT3, RPS6KA3, CDK3 | ALDH1A1 4305/4885TAAR1 4523/4885AOC3 4430/4885 |
“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.