Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.51 |
| ▸ | CNR2 | P34972 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | PTGES | O14684 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | EP300 | Q09472 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29196894 | 0.94 | CYP3A4 (0.50) | CYP3A4CYP2C9GRIK1CNR2MEN1 | |
| SCHEMBL14673255 | 0.94 | CYP3A4 (0.50) | CYP3A4CYP2C9GRIK1CNR2MEN1 | |
| SCHEMBL17784548 | 0.90 | CYP3A4 (0.56) | CYP3A4CYP2C9GRIK1CNR2MEN1 | |
| SCHEMBL2190413 | 0.90 | CYP3A4 (0.56) | CYP3A4CYP2C9GRIK1CNR2MEN1 | |
| SCHEMBL2192019 | 0.82 | CYP3A4 (0.59) | CYP3A4CYP2C9GRIK1CNR2MEN1 | |
| SCHEMBL7336694 | 0.82 | CYP3A4 (0.59) | CYP3A4CYP2C9GRIK1CNR2MEN1 | |
| SCHEMBL800101 | 0.82 | CYP3A4 (0.59) | CYP3A4CYP2C9GRIK1CNR2MEN1 | |
| SCHEMBL29287394 | 0.79 | MEN1 (0.49) | CNR2MEN1KMT2AALDH1A1EP300 | |
| SCHEMBL8991874 | 0.79 | CYP3A4 (0.51) | CYP3A4CYP2C9CNR2MEN1KMT2A | |
| SCHEMBL800740 | 0.77 | CYP3A4 (0.61) | CYP3A4CYP2C9GRIK1MEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8530456-B2 | Sonic hedgehog modulators | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2013-09-10 | — | — | US | disclosed |
| US-20110172233-A1 | SONIC HEDGEHOG MODULATORS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2011-07-14 | — | — | US | disclosed |
| WO-2009132032-A2 | SONIC HEDGEHOG MODULATORS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2009-10-29 | — | — | 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-20110172233-A1 | SONIC HEDGEHOG MODULATORS | SHH, GLI1, SMO | CYP3A4 4815/4885CYP2C9 4853/4885GRIK1 3724/4885 |
“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.