Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 4/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.44 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 6/20 | 0.40 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 2/20 | 0.37 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.37 |
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | HNF4A | P41235 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4867176 | 0.88 | NR4A2 (0.41) | MCL1AKR1C2AKR1C1FTOCNR1 | |
| SCHEMBL4863679 | 0.87 | CNR1 (0.42) | MCL1AKR1C2AKR1C1CNR1DHODH | |
| SCHEMBL8285530 | 0.85 | CNR1 (0.44) | CNR1AKR1C3KDM4EALDH1A1 | |
| SCHEMBL4861896 | 0.85 | DHODH (0.43) | AKR1C2AKR1C1FTOCNR1DHODH | |
| SCHEMBL4866066 | 0.81 | HNF4A (0.41) | CNR1HNF4AGAAAKR1C3KDM4E | |
| SCHEMBL4870745 | 0.77 | PDPK1 (0.41) | MCL1CNR1DHODH | |
| SCHEMBL4868951 | 0.77 | SLC6A4 (0.46) | CNR1DHODHNPC1GAARAB9A | |
| SCHEMBL4868360 | 0.77 | CNR1 (0.45) | AKR1C2AKR1C1CNR1DHODHKMT2A | |
| SCHEMBL4867081 | 0.77 | CNR1 (0.44) | AKR1C2AKR1C1CNR1DHODHKMT2A | |
| SCHEMBL4863705 | 0.76 | CNR1 (0.39) | MCL1CNR1DHODH |
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-7319101-B2 | COMT inhibitors for the treatment of depression and impaired cognition | HOFFMANN-LA ROCHE INC. (US) | 2008-01-15 | — | — | US | disclosed |
| US-7319101-B2 | COMT inhibitors for the treatment of depression and impaired cognition | HOFFMANN-LA ROCHE INC. (US) | 2008-01-15 | — | — | US | disclosed |
| US-7319101-B2 | COMT inhibitors for the treatment of depression and impaired cognition | HOFFMANN-LA ROCHE INC. (US) | 2008-01-15 | — | — | US | disclosed |
| EP-1697394-B1 | COMT INHIBITORS | HOFFMANN LA ROCHE (CH) | 2007-03-21 | — | — | EP | disclosed |
| EP-1697394-B1 | COMT INHIBITORS | HOFFMANN LA ROCHE (CH) | 2007-03-21 | — | — | EP | disclosed |
| EP-1697394-A2 | COMT INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-09-06 | — | — | EP | disclosed |
| WO-2005058228-A2 | COMT INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-06-30 | — | — | WO | disclosed |
| WO-2005058228-A2 | COMT INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-06-30 | — | — | WO | disclosed |
| US-20050137162-A1 | New COMT inhibitors for the treatment of depression and impaired cognition | F. HOFFMANN-LA ROCHE AG (CH) | 2005-06-23 | — | — | US | 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-20050137162-A1 | New COMT inhibitors for the treatment of depression and impaired cognition | COMT, MAOB, TPH1 | MCL1 4536/4885AKR1C2 339/4885AKR1C1 238/4885 |
“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.