Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C2 | P52895 | 6/20 | 0.71 |
| ▸ | AKR1C1 | Q04828 | 6/20 | 0.71 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.69 |
| ▸ | HNF4A | P41235 | 2/20 | 0.53 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.53 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.52 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.51 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.50 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.49 |
| ▸ | DHFR | P00374 | 1/20 | 0.49 |
| ▸ | XDH | P47989 | 2/20 | 0.48 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | PPM1B | O75688 | 1/20 | 0.47 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.47 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4863547 | 0.82 | AKR1C2 (0.62) | AKR1C2AKR1C1MCL1HNF4AACMSD | |
| SCHEMBL4967083 | 0.81 | MCL1 (1.00) | AKR1C2AKR1C1MCL1HNF4AACMSD | |
| SCHEMBL16351974 | 0.81 | MCL1 (0.72) | AKR1C2AKR1C1MCL1HNF4AACMSD | |
| SCHEMBL9742746 | 0.80 | SELL (0.55) | AKR1C2AKR1C1MCL1EGLN1 | |
| SCHEMBL31335826 | 0.77 | CSNK2A1 (0.57) | AKR1C2AKR1C1MCL1CSNK2A1AKR1C4 | |
| SCHEMBL5940950 | 0.77 | CSNK2A1 (0.57) | AKR1C2AKR1C1MCL1CSNK2A1AKR1C4 | |
| SCHEMBL10052771 | 0.76 | MCL1 (0.61) | AKR1C2AKR1C1MCL1HNF4AACMSD | |
| SCHEMBL4863594 | 0.76 | ABCC3 (0.57) | AKR1C2AKR1C1MCL1CSNK2A1AKR1C3 | |
| SCHEMBL8840571 | 0.76 | MCL1 (0.65) | AKR1C2AKR1C1MCL1HNF4AACMSD | |
| SCHEMBL4966627 | 0.76 | MCL1 (0.70) | AKR1C2AKR1C1MCL1HNF4AACMSD |
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 10 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 | claimed |
| EP-1697394-B1 | COMT INHIBITORS | HOFFMANN LA ROCHE (CH) | 2007-03-21 | — | — | EP | claimed |
| EP-1697394-A2 | COMT INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-09-06 | — | — | EP | claimed |
| WO-2005058228-A2 | COMT INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-06-30 | — | — | WO | claimed |
| US-20050137162-A1 | New COMT inhibitors for the treatment of depression and impaired cognition | F. HOFFMANN-LA ROCHE AG (CH) | 2005-06-23 | — | — | US | claimed |
| 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-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 |
| 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 | AKR1C2 339/4885AKR1C1 238/4885MCL1 4536/4885 |
“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.