Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | GAA | P10253 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | PTK2B | Q14289 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL3197069 | 0.82 | MAPT (0.61) | MAPTGAAKDM4EPTK2BMAPK1 | |
| SCHEMBL2913155 | 0.81 | MAPT (0.56) | MAPTGAAKDM4EPTK2BMAPK1 | |
| SCHEMBL2943140 | 0.80 | MAPT (0.55) | MAPTGAAKDM4EPTK2BMAPK1 | |
| SCHEMBL3685950 | 0.77 | NPC1 (0.48) | GAAKDM4EMAPK1ADRA2CALDH1A1 | |
| SCHEMBL3685781 | 0.74 | ADORA2A (0.51) | GAAALDH1A1HTR3AADORA2AADORA1 | |
| SCHEMBL6571919 | 0.72 | ALDH1A1 (0.46) | MAPTGAAKDM4EMAPK1HTT | |
| SCHEMBL76547 | 0.71 | GAA (0.73) | MAPTGAAKDM4EPTK2BMAPK1 | |
| SCHEMBL29745032 | 0.71 | GAA (0.73) | MAPTGAAKDM4EPTK2BMAPK1 | |
| SCHEMBL2907550 | 0.71 | GAA (0.59) | MAPTGAAKDM4EPTK2BMAPK1 | |
| SCHEMBL21763659 | 0.71 | HTR3A (0.56) | GAAKDM4EADRA2CALDH1A1HTR3A |
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 4 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 |
| 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 |
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 | MAPT 4521/4885GAA 2255/4885KDM4E 558/4885 |
“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.