Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | INSR | P06213 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | NSD2 | O96028 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 3/20 | 0.31 |
| ▸ | TERT | O14746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1254005 | 0.77 | ROCK1 (0.49) | CYP2A6KDM4EL3MBTL1MAPT | |
| SCHEMBL4655134 | 0.77 | CYP2A6 (0.47) | CYP2A6CYP17A1 | |
| SCHEMBL1251780 | 0.77 | CYP17A1 (0.49) | CYP2A6KDM4ETLR9CYP17A1ALDH1A1 | |
| SCHEMBL6958908 | 0.74 | ALDH1A1 (0.49) | CYP2A6KDM4EL3MBTL1MAPTALDH1A1 | |
| SCHEMBL719414 | 0.73 | MEN1 (0.42) | TLR9MAPT | |
| SCHEMBL12922999 | 0.72 | KDM4E (0.35) | KDM4EPDE3BPDE3AINSRATM | |
| SCHEMBL157274 | 0.72 | TUBB4A (0.48) | CYP2A6KDM4EMAPTALDH1A1TSHR | |
| SCHEMBL2080433 | 0.72 | KDM4E (0.48) | KDM4EPDE3BPDE3AATMTLR9 | |
| SCHEMBL4992382 | 0.71 | ATM (0.38) | KDM4EPDE3BPDE3AATMTLR9 | |
| SCHEMBL4998343 | 0.69 | CYP2A6 (0.58) | CYP2A6CYP2A13KDM4EPDE3BPDE3A |
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-7906537-B2 | Substituted p-diaminobenzene derivatives | H. LUNDBECK A/S (DK) | 2011-03-15 | — | — | US | disclosed |
| US-7368472-B2 | 1,2,4-Triaminobenzene derivatives useful for treating disorders of the central nervous system | H. LUNDBECK A/S (DK) | 2008-05-06 | — | — | US | disclosed |
| EP-1578740-B1 | 1,2,4-TRIAMINOBENZENE DERIVATIVES USEFUL FOR TREATING DISORDERS OF THE CENTRAL NERVOUS SYSTEM | LUNDBECK & CO AS H (DK) | 2007-03-21 | — | — | EP | disclosed |
| US-20060183791-A1 | Substituted p-diaminobenzene derivatives | H. LUNDBECK A/S (DK) | 2006-08-17 | — | — | US | disclosed |
| US-20060014822-A1 | 1,2,4-Triaminobenzene derivatives useful for treating disorders of the central nervous system | H. LUNDBECK A/S (DK) | 2006-01-19 | — | — | US | disclosed |
| EP-1613303-A1 | SUBSTITUTED P-DIAMINOBENZENE DERIVATIVES | H. Lundbeck A/S (DK) | 2006-01-11 | — | — | EP | disclosed |
| EP-1578740-A1 | 1,2,4-TRIAMINOBENZENE DERIVATIVES USEFUL FOR TREATING DISORDERS OF THE CENTRAL NERVOUS SYSTEM | H. Lundbeck A/S (DK) | 2005-09-28 | — | — | EP | disclosed |
| WO-2004082677-A1 | SUBSTITUTED P-DIAMINOBENZENE DERIVATIVES | H. LUNDBECK A/S (DK) | 2004-09-30 | — | — | WO | disclosed |
| WO-2004058739-A1 | 1,2,4-TRIAMINOBENZENE DERIVATIVES USEFUL FOR TREATING DISORDERS OF THE CENTRAL NERVOUS SYSTEM | H. LUNDBECK A/S (DK) | 2004-07-15 | — | — | 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 (2 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-20060183791-A1 | Substituted p-diaminobenzene derivatives | ABCB1, UGT2B7, CYP2D6 | CYP2A6 130/4885CYP2A13 67/4885KDM4E 3905/4885 |
| US-20060014822-A1 | 1,2,4-Triaminobenzene derivatives useful for treating disorders of the central nervous system | PMP22, GRIN2B, AVPR1B | CYP2A6 206/4885CYP2A13 253/4885KDM4E 4049/4885 |
“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.