Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | MAPT | P10636 | 5/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 5/20 | 0.45 |
| ▸ | RAB9A | P51151 | 5/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.45 |
| ▸ | RELA | Q04206 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL12726045 | 0.92 | ALDH1A1 (0.52) | KDM4EALDH1A1MAPTKMT2AHPGD | |
| SCHEMBL15107970 | 0.88 | MAPT (0.49) | KDM4EALDH1A1MAPTKMT2AHPGD | |
| SCHEMBL15107972 | 0.88 | MAPT (0.53) | KDM4EALDH1A1MAPTKMT2AHPGD | |
| SCHEMBL13075437 | 0.87 | MAPT (0.53) | KDM4EALDH1A1MAPTKMT2AHPGD | |
| SCHEMBL12726167 | 0.86 | KDM4E (0.58) | KDM4EALDH1A1MAPTKMT2AHPGD | |
| SCHEMBL13075823 | 0.86 | KDM4E (0.56) | KDM4EALDH1A1MAPTKMT2AHPGD | |
| SCHEMBL12726189 | 0.86 | KDM4E (0.59) | KDM4EALDH1A1MAPTKMT2AHPGD | |
| SCHEMBL12726200 | 0.84 | KDM4E (0.57) | KDM4EALDH1A1MAPTKMT2AHPGD | |
| SCHEMBL12726220 | 0.84 | ALDH1A1 (0.57) | KDM4EALDH1A1MAPTKMT2AHPGD | |
| SCHEMBL12726060 | 0.84 | ALDH1A1 (0.54) | KDM4EALDH1A1MAPTKMT2AHPGD |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8486936-B2 | Antagonist of smoothened | AllaChem, LLC (US) | 2013-07-16 | — | — | US | disclosed |
| US-8486936-B2 | Antagonist of smoothened | AllaChem, LLC (US) | 2013-07-16 | — | — | US | disclosed |
| US-20110098291-A1 | ANTAGONIST OF SMOOTHENED | Alla Chem Inc. (US) | 2011-04-28 | — | — | US | disclosed |
| US-20110098291-A1 | ANTAGONIST OF SMOOTHENED | Alla Chem Inc. (US) | 2011-04-28 | — | — | US | disclosed |
| WO-2010129620-A1 | IMIDAZO [ 1, 2 -A] PYRIDIN-2 -YL-PHENYL DERIVATIVES TO BE USED IN CANCER TREATMENT | ALLA CHEM, LLC (US) | 2010-11-11 | — | — | 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-20110098291-A1 | ANTAGONIST OF SMOOTHENED | SMO, SHH, GLI1 | KDM4E 1596/4885ALDH1A1 2639/4885MAPT 1534/4885 |
“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.