Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CHKA | P35790 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL7863204 | 0.80 | CHKA (0.43) | ALDH1A1ALOX15HSD17B10KDM4EMEN1 | |
| SCHEMBL4869797 | 0.78 | ALDH1A1 (0.43) | ALDH1A1CYP1A2ALOX15HSD17B10KDM4E | |
| SCHEMBL7400905 | 0.75 | ADRB1 (0.52) | ALDH1A1CYP1A2CYP2D6KDM4EMAPT | |
| Hydrochloric Acid SCHEMBL21247013 | 0.73 | ADRB1 (0.50) | CYP1A2CYP2D6MAPTHTTCHRM2 | |
| SCHEMBL30748554 | 0.72 | LRRK2 (0.36) | CYP2D6KDM4ECHRM2CHRM4CHRM5 | |
| SCHEMBL42709 | 0.69 | LMNA (0.54) | ALDH1A1ALOX15HSD17B10CYP2D6MEN1 | |
| SCHEMBL662317 | 0.65 | MAPT (0.52) | ALDH1A1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL3183333 | 0.65 | AKR1C3 (0.44) | ALDH1A1MEN1MAPTKMT2ACHKA | |
| SCHEMBL216663 | 0.65 | ALDH1A1 (0.57) | ALDH1A1KDM4EMEN1NPC1MAPT | |
| SCHEMBL220360 | 0.65 | HTR3E (0.57) | ALDH1A1KDM4EMEN1NPC1MAPT |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8796294-B2 | Inhibitors of the hedgehog pathway | EXELIXIS PATENT COMPANY LLC (US) | 2014-08-05 | — | — | US | disclosed |
| US-8754092-B2 | Inhibitors of the hedgehog pathway | EXELIXIS PATENT COMPANY LLC (US) | 2014-06-17 | — | — | US | disclosed |
| EP-2527330-A1 | Inhibitors of the hedgehog pathway | Exelixis, Inc. (US) | 2012-11-28 | — | — | EP | disclosed |
| US-20120245139-A1 | INHIBITORS OF THE HEDGEHOG PATHWAY | EXELIXIS PATENT COMPANY LLC (US) | 2012-09-27 | — | — | US | disclosed |
| US-20120238570-A1 | INHIBITORS OF THE HEDGEHOG PATHWAY | EXELIXIS PATENT COMPANY LLC (US) | 2012-09-20 | — | — | US | disclosed |
| US-8222263-B2 | Inhibitors of hedgehog pathway | EXELIXIS PATENT COMPANY LLC (US) | 2012-07-17 | — | — | US | disclosed |
| EP-2134695-A1 | INHIBITORS OF THE HEDGEHOG PATHWAY | Exelixis, Inc. (US) | 2009-12-23 | — | — | EP | disclosed |
| US-20090105211-A1 | INHIBITORS OF HEDGEHOG PATHWAY | EXELIXIS, INC. (US) | 2009-04-23 | — | — | US | disclosed |
| WO-2008112913-A1 | INHIBITORS OF THE HEDGEHOG PATHWAY | EXELIXIS, INC. (US) | 2008-09-18 | — | — | 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 (3 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-20120238570-A1 | INHIBITORS OF THE HEDGEHOG PATHWAY | SHH, GLI1, SMO | ALDH1A1 1486/4885CYP1A2 4593/4885ALOX15 4713/4885 |
| US-20090105211-A1 | INHIBITORS OF HEDGEHOG PATHWAY | SHH, GLI1, SMO | ALDH1A1 1523/4885CYP1A2 4563/4885ALOX15 4706/4885 |
| US-20120245139-A1 | INHIBITORS OF THE HEDGEHOG PATHWAY | SHH, GLI1, SMO | ALDH1A1 1486/4885CYP1A2 4593/4885ALOX15 4713/4885 |
“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.