Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 3/20 | 0.37 |
| ▸ | CCKAR | P32238 | 1/20 | 0.37 |
| ▸ | CCKBR | P32239 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | NAAA | Q02083 | 2/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4988629 | 1.00 | NPC1 (0.46) | NPC1GAAMAPK1RAB9ASMN1; SMN2 | |
| SCHEMBL4249302 | 0.85 | SCN9A (0.41) | NPC1GAAMAPK1RAB9ASMN1; SMN2 | |
| SCHEMBL4249305 | 0.85 | SCN9A (0.41) | NPC1GAAMAPK1RAB9ASMN1; SMN2 | |
| SCHEMBL6176374 | 0.83 | EPHX2 (0.46) | GAAHDAC2HDAC8HDAC6EPHX2 | |
| SCHEMBL4995158 | 0.83 | EPHX2 (0.41) | NPC1GAAMAPK1RAB9ASMN1; SMN2 | |
| SCHEMBL4249390 | 0.83 | EPHX2 (0.41) | NPC1GAAMAPK1RAB9ASMN1; SMN2 | |
| SCHEMBL7959365 | 0.83 | NPC1 (0.43) | NPC1GAAMAPK1RAB9ASMN1; SMN2 | |
| SCHEMBL4257988 | 0.83 | CYP3A4 (0.44) | HDAC6PPARAKMT2AL3MBTL1SCN9A | |
| SCHEMBL4993503 | 0.83 | CYP3A4 (0.44) | HDAC6PPARAKMT2AL3MBTL1SCN9A | |
| SCHEMBL6180846 | 0.82 | SMN1; SMN2 (0.46) | NPC1GAAMAPK1RAB9ASMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7414049-B2 | 4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2008-08-19 | — | — | US | disclosed |
| US-20080103133-A1 | 4-OXO-2,3,4,5-TETRAHYDRO-BENZO[b][1,4]DIAZEPINE DERIVATIVES | HOFFMANN-LA ROCHE INC. | 2008-05-01 | — | — | 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-20080103133-A1 | 4-OXO-2,3,4,5-TETRAHYDRO-BENZO[b][1,4]DIAZEPINE DERIVATIVES | BACE1, BACE2, PSEN1 | NPC1 1179/4885GAA 271/4885MAPK1 3876/4885 |
“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.