Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.42 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.40 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.39 |
| ▸ | PKN2 | Q16513 | 2/20 | 0.39 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL6629433 | 0.82 | ADORA3 (0.43) | ADORA3ADORA1ADRB1IRAK4TGFBR1 | |
| SCHEMBL6651477 | 0.80 | ADRB1 (0.47) | ADORA3ADORA1ADRB1HRH4ROCK2 | |
| SCHEMBL3319564 | 0.73 | ADRB1 (0.51) | ADRB1CYP1A2CYP3A4CYP2C19LMNA | |
| SCHEMBL7242525 | 0.72 | ADRB1 (0.53) | ADRB1CYP3A4MEN1MAPTKMT2A | |
| SCHEMBL6629232 | 0.72 | ADRB1 (0.53) | ADRB1HRH4LMNAKDM4EALDH1A1 | |
| SCHEMBL6782999 | 0.72 | ADRB1 (0.53) | ADRB1TGFBR1ACVR1CYP1A2CYP3A4 | |
| SCHEMBL654246 | 0.68 | HRH4 (0.45) | ADRB1HRH4CYP3A4MAPTKDM4E | |
| SCHEMBL6651476 | 0.68 | PIM1 (0.42) | ADRB1IRAK4TGFBR1ACVR1ROCK2 | |
| SCHEMBL16928274 | 0.68 | HRH4 (0.50) | ADORA3ADORA1ADRB1NPC1RAB9A | |
| SCHEMBL6920358 | 0.66 | CNR2 (0.52) | ADRB1PRKCHPRKCQ |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1389194-A2 | INHIBITORS OF BACE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-02-18 | — | — | EP | disclosed |
| US-20030095958-A1 | Inhibitors of bace | VERTEX PHARMACEUTICALS INCORPORATED | 2003-05-22 | — | — | US | disclosed |
| WO-2002088101-A2 | INHIBITORS OF BACE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-11-07 | — | — | 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-20030095958-A1 | Inhibitors of bace | BACE2, BACE1, APP | ADORA3 3293/4885ADORA1 2884/4885ADRB1 3834/4885 |
“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.