Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 7/20 | 0.35 |
| ▸ | NPC1 | O15118 | 7/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | HTR1F | P30939 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | PRNP | P04156 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23107336 | 0.84 | GSK3B (0.38) | CYP2C9RAB9ANPC1KMT2AMEN1 | |
| SCHEMBL3923726 | 0.76 | RAB9A (0.56) | CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL3923797 | 0.76 | L3MBTL1 (0.39) | CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL29496091 | 0.75 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL124547 | 0.74 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL31052622 | 0.72 | PARP2 (0.48) | CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL14206626 | 0.72 | CNR2 (0.48) | L3MBTL1CNR2RAB9ANPC1KMT2A | |
| SCHEMBL29604131 | 0.72 | ATR (0.40) | RAB9ANPC1KMT2AMAPTMEN1 | |
| SCHEMBL23107173 | 0.72 | ATR (0.40) | RAB9ANPC1KMT2AMAPTMEN1 | |
| SCHEMBL29133125 | 0.72 | MAPT (0.42) | CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1 |
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-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 |
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 | CYP1A2 80/4885CYP3A4 78/4885CYP2C9 66/4885 |
“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.