Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ITGB2 | P05107 | 6/20 | 0.40 |
| ▸ | ICAM1 | P05362 | 6/20 | 0.40 |
| ▸ | ITGAL | P20701 | 6/20 | 0.40 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.40 |
| ▸ | RHEB | Q15382 | 3/20 | 0.40 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL31222333 | 0.81 | PDE7A (0.46) | ALDH1A1HPGDMEN1KMT2AMAPT | |
| SCHEMBL28846956 | 0.74 | ALDH1A1 (0.46) | ALDH1A1HPGDMEN1KMT2AMAPT | |
| SCHEMBL29543966 | 0.73 | RHEB (0.55) | ALDH1A1HPGDKMT2AMAPTPRMT1 | |
| SCHEMBL6915666 | 0.73 | RHEB (0.55) | ALDH1A1HPGDKMT2AMAPTPRMT1 | |
| SCHEMBL6244315 | 0.71 | L3MBTL1 (0.46) | ALDH1A1HPGDMEN1KMT2AMAPT | |
| SCHEMBL30548744 | 0.71 | RHEB (0.53) | ALDH1A1HPGDKMT2AMAPTPRMT1 | |
| SCHEMBL10767306 | 0.70 | SLC6A2 (0.59) | ALDH1A1HPGDMEN1KMT2AMAPT | |
| SCHEMBL29829144 | 0.70 | PDE7A (0.53) | ALDH1A1HPGDMEN1KMT2AMAPT | |
| SCHEMBL27999929 | 0.70 | SLC6A2 (0.54) | ALDH1A1HPGDMEN1KMT2AMAPT | |
| SCHEMBL989608 | 0.69 | ALDH1A1 (0.52) | ALDH1A1HPGDKDM4EGLAGAA |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1157006-B1 | PHENYL- AND PYRIDINYL DERIVATIVES AS NEUROKININ 1 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2006-10-25 | — | — | EP | disclosed |
| CN-1131212-C | Phenyl-and pyridinyl derivatives | HOFFMANN LA ROCHE (CH) | 2003-12-17 | — | — | CN | disclosed |
| US-6596773-B2 | Central nervous system disorders | HOFFMANN-LA ROCHE INC. | 2003-07-22 | — | — | US | disclosed |
| US-20020111367-A1 | Phenyl substituted pyridine and benzene derivatives | BOS MICHAEL (CA) | 2002-08-15 | — | — | US | disclosed |
| US-6407111-B1 | SUBSTANCE P OR NEUROKININ 1 ANTAGONISTS; ANTIINFLAMMATORY, ANTIDEPRESSANT, ANTIARTHRITIC, AND ANTIASTHMATIC AGENTS; PARKINSON*S DISEASE, INFLAMMATORY BOWEL DISEASE, CENTRAL NERVOUS SYSTEM AND RHEUMATIC DISORDERS | HOFFMANN-LA ROCHE INC. | 2002-06-18 | — | — | US | disclosed |
| CN-1341101-A | Phenyl-and pyridinyl derivatives | HOFFMANN LA ROCHE (CH) | 2002-03-20 | — | — | CN | disclosed |
| EP-1157006-A2 | PHENYL- AND PYRIDINYL DERIVATIVES AS NEUROKININ 1 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-11-28 | — | — | EP | disclosed |
| WO-2000050398-A2 | PHENYL- AND PYRIDINYL DERIVATIVES AS NEUROKININ 1 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2000-08-31 | — | — | 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-20020111367-A1 | Phenyl substituted pyridine and benzene derivatives | BDKRB1, BAK1, PBK | ALDH1A1 754/4885HPGD 1634/4885MEN1 4317/4885 |
“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.