Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.53 |
| ▸ | HPGD | P15428 | 4/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.50 |
| ▸ | APP | P05067 | 4/20 | 0.48 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.47 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | BTK | Q06187 | 1/20 | 0.46 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28329925 | 0.82 | ALDH1A1 (0.46) | ALDH1A1KDM4EHPGDHSD17B10TSHR | |
| SCHEMBL1622369 | 0.81 | KDM4E (0.53) | ALDH1A1KDM4EHPGDHSD17B10TSHR | |
| SCHEMBL357339 | 0.80 | GSK3B (0.49) | ALDH1A1KDM4EHPGDHSD17B10TSHR | |
| SCHEMBL15846341 | 0.78 | KDM4E (0.53) | ALDH1A1KDM4EHPGDHSD17B10TSHR | |
| SCHEMBL7998448 | 0.78 | KDM4E (0.56) | ALDH1A1KDM4EHPGDHSD17B10TSHR | |
| SCHEMBL530191 | 0.76 | ALDH1A1 (0.58) | ALDH1A1KDM4EHPGDHSD17B10TSHR | |
| SCHEMBL30293081 | 0.76 | ALDH1A1 (0.58) | ALDH1A1KDM4EHPGDHSD17B10TSHR | |
| SCHEMBL1621890 | 0.75 | APP (0.56) | ALDH1A1KDM4EHPGDHSD17B10TSHR | |
| SCHEMBL4737616 | 0.75 | ABCG2 (0.53) | ALDH1A1KDM4EHPGDPDE3BPDE3A | |
| SCHEMBL3239485 | 0.75 | NQO2 (0.53) | ALDH1A1KDM4EHPGDTSHRSMN1; SMN2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9656971-B2 | COMT inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2017-05-23 | — | — | US | disclosed |
| EP-2938600-B1 | COMT INHIBITORS | HOFFMANN LA ROCHE (CH) | 2017-01-25 | — | — | EP | disclosed |
| US-20160002177-A1 | COMT INHIBITORS | HOFFMANN-LA ROCHE INC. (US) | 2016-01-07 | — | — | US | disclosed |
| EP-2938600-A1 | COMT INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2015-11-04 | — | — | EP | disclosed |
| WO-2014102233-A1 | COMT INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2014-07-03 | — | — | WO | disclosed |
| WO-2008067219-A2 | QUINAZOLINONE MODULATORS OF TGR5 | KALYPSYS, INC. (US) | 2008-06-05 | — | — | 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-20160002177-A1 | COMT INHIBITORS | COMT, PNMT, SLC6A3 | ALDH1A1 92/4885KDM4E 1308/4885HPGD 1160/4885 |
“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.