Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.40 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.40 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.40 |
| ▸ | TACR1 | P25103 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TOP2A | P11388 | 1/20 | 0.38 |
| ▸ | ACLY | P53396 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15845739 | 0.78 | KDM4E (0.40) | CETPABCB1KDM4ERAB9ANPC1 | |
| SCHEMBL15845699 | 0.77 | MEN1 (0.38) | ADORA1KDM4ERAB9ANPC1NPSR1 | |
| SCHEMBL15845885 | 0.77 | CYP2C9 (0.44) | ADORA1KDM4ERAB9ANPC1NPSR1 | |
| SCHEMBL18888424 | 0.76 | GAA (0.41) | ABCB1ADORA1ALOX12HSD17B10MEN1 | |
| SCHEMBL15845612 | 0.73 | KDM4E (0.42) | CETPABCB1KDM4ERAB9ANPC1 | |
| SCHEMBL3294448 | 0.72 | ALDH1A1 (0.40) | ADORA1KDM4ERAB9ANPC1NPSR1 | |
| SCHEMBL9474380 | 0.70 | KDM4E (0.51) | ABCB1ADORA1KDM4ENPSR1LMNA | |
| SCHEMBL3296562 | 0.70 | ALDH1A1 (0.40) | ADORA1KDM4ERAB9ANPC1NPSR1 | |
| SCHEMBL28451945 | 0.69 | PDE4B (0.43) | ABCB1KDM4EALDH1A1ACLYMAPT | |
| SCHEMBL8471964 | 0.69 | ALDH1A1 (0.52) | ADORA1KDM4ENPSR1TACR1LMNA |
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 7 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 |
| 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-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 | CETP 2853/4885ABCB1 211/4885ADORA1 3171/4885 |
“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.