Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TACR1 | P25103 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.32 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.32 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | AMD1 | P17707 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.30 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.30 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.30 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23454357 | 0.77 | ALDH1A1 (0.45) | ALDH1A1TACR1MEN1KMT2AMAPT | |
| SCHEMBL2462180 | 0.76 | ALDH1A1 (0.36) | ALDH1A1TACR1KMT2AIDO1 | |
| SCHEMBL18491297 | 0.71 | ALDH1A1 (0.46) | ALDH1A1TACR1MEN1KMT2AMAPT | |
| SCHEMBL27099348 | 0.71 | SMN1; SMN2 (0.35) | ALDH1A1MAPTCYP3A4IDO1 | |
| SCHEMBL13698753 | 0.71 | ALDH1A1 (0.58) | ALDH1A1TACR1MEN1KMT2AMAPT | |
| SCHEMBL23454355 | 0.71 | ALDH1A1 (0.58) | ALDH1A1MEN1KMT2AMAPTCYP3A4 | |
| SCHEMBL31617705 | 0.70 | ALDH1A1 (0.49) | ALDH1A1TACR1MEN1KMT2AMAPT | |
| SCHEMBL14750058 | 0.69 | IDO1 (0.55) | ALDH1A1IDO1LMNAAR | |
| SCHEMBL10202607 | 0.69 | IDO1 (0.55) | ALDH1A1TACR1IDO1LMNAAR | |
| SCHEMBL31128371 | 0.68 | MBOAT4 (0.32) | ALDH1A1MAPT |
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-8076338-B2 | Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation | EXELIXIS, INC. (US) | 2011-12-13 | — | — | US | disclosed |
| US-20080076774-A1 | Kinase Modulators and Methods of Use | EXELIXIS, INC. (US) | 2008-03-27 | — | — | US | disclosed |
| EP-1750727-A2 | KINASE MODULATORS AND METHODS OF USE | Exelixis, Inc. (US) | 2007-02-14 | — | — | EP | disclosed |
| WO-2005117909-A2 | KINASE MODULATORS AND METHODS OF USE | EXELIXIS, INC. (US) | 2005-12-15 | — | — | 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-20080076774-A1 | Kinase Modulators and Methods of Use | AKT3, RPS6KA3, CDK3 | ALDH1A1 4305/4885TACR1 2290/4885MEN1 2030/4885 |
“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.