Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL4880517 | 0.67 | — | — | |
| SCHEMBL784074 | 0.62 | ALDH1A1 (0.34) | ALDH1A1 | |
| SCHEMBL289021 | 0.61 | — | — | |
| SCHEMBL16499735 | 0.60 | — | — | |
| SCHEMBL4269106 | 0.58 | — | — | |
| SCHEMBL6573461 | 0.58 | — | — | |
| SCHEMBL29663753 | 0.58 | — | — | |
| SCHEMBL4620784 | 0.55 | TRIM24 (0.47) | ALDH1A1MAPK1CYP2A6MAOAMAOB | |
| SCHEMBL6282319 | 0.55 | ALDH1A1 (0.39) | ALDH1A1MAPK1CYP2A6MAOAMAOB | |
| SCHEMBL1988087 | 0.55 | HTT (0.41) | ALDH1A1MAPK1MAOAMAOB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012021611-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-02-16 | — | — | WO | claimed |
| US-9062038-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2015-06-23 | — | — | US | disclosed |
| US-20130267563-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2013-10-10 | — | — | US | disclosed |
| WO-2012021611-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-02-16 | — | — | 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-20130267563-A1 | HETEROARYLS AND USES THEREOF | RICTOR, MTOR, AKT1S1 | ALDH1A1 1071/4885MAPK1 115/4885CYP2A6 964/4885 |
“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.