Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.43 |
| ▸ | RAB9A | P51151 | 8/20 | 0.43 |
| ▸ | NPC1 | O15118 | 7/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 4/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 4/20 | 0.43 |
| ▸ | RELA | Q04206 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.41 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4863666 | 0.89 | ALDH1A1 (0.46) | KDM4ERAB9ANPC1SMN1; SMN2LMNA | |
| SCHEMBL4870745 | 0.78 | PDPK1 (0.41) | — | |
| SCHEMBL4860753 | 0.76 | MCL1 (0.44) | KDM4ERAB9ANPC1ALDH1A1HSD17B10 | |
| SCHEMBL4861896 | 0.76 | DHODH (0.43) | KDM4ESMN1; SMN2ALDH1A1HSD17B10HPGD | |
| SCHEMBL4863679 | 0.73 | CNR1 (0.42) | RAB9ANPC1MEN1KMT2A | |
| SCHEMBL28810665 | 0.72 | KDM4E (0.51) | KDM4ERAB9ANPC1SMN1; SMN2LMNA | |
| SCHEMBL4867081 | 0.71 | CNR1 (0.44) | KDM4EMEN1KMT2AGLA | |
| SCHEMBL4868360 | 0.71 | CNR1 (0.45) | KDM4ESMN1; SMN2ALDH1A1MAPTTP53 | |
| SCHEMBL8285530 | 0.71 | CNR1 (0.44) | KDM4EALDH1A1POLB | |
| SCHEMBL28623044 | 0.70 | APP (0.63) | KDM4ERAB9ANPC1SMN1; SMN2LMNA |
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 | 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 |
| EP-1615905-A2 | BENZOPYRAN COMPOUNDS USEFUL FOR TREATING INFLAMMATORY CONDITIONS | Pharmacia Corporation (US) | 2006-01-18 | — | — | 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 |
| WO-2004087686-A2 | BENZOPYRAN COMPOUNDS USEFUL FOR TREATING INFLAMMATORY CONDITIONS | PHARMACIA CORPORATION (US) | 2004-10-14 | — | — | 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-20050137162-A1 | New COMT inhibitors for the treatment of depression and impaired cognition | COMT, MAOB, TPH1 | KDM4E 1075/4885RAB9A 487/4885NPC1 2447/4885 |
“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.