Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.67 |
| ▸ | RAB9A | P51151 | 2/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.67 |
| ▸ | MAOB | P27338 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.62 |
| ▸ | GAA | P10253 | 1/20 | 0.62 |
| ▸ | HPGD | P15428 | 1/20 | 0.62 |
| ▸ | GPR183 | P32249 | 4/20 | 0.62 |
| ▸ | CCR2 | P41597 | 8/20 | 0.59 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.54 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | ITGB2 | P05107 | 2/20 | 0.51 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.51 |
| ▸ | ITGAL | P20701 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL4502004 | 1.00 | NPC1 (0.67) | NPC1RAB9ATDP1MAOBLMNA | |
| SCHEMBL4505160 | 0.88 | NPC1 (0.69) | NPC1RAB9ATDP1GPR183CCR2 | |
| SCHEMBL4505167 | 0.88 | NPC1 (0.69) | NPC1RAB9ATDP1GPR183CCR2 | |
| SCHEMBL4519049 | 0.88 | NPC1 (0.73) | NPC1RAB9ATDP1GPR183CCR2 | |
| SCHEMBL4519044 | 0.88 | NPC1 (0.73) | NPC1RAB9ATDP1GPR183CCR2 | |
| SCHEMBL5324731 | 0.85 | NPC1 (0.66) | NPC1RAB9ATDP1GPR183CCR2 | |
| SCHEMBL5324726 | 0.85 | NPC1 (0.66) | NPC1RAB9ATDP1GPR183CCR2 | |
| SCHEMBL7698094 | 0.83 | CCR2 (0.67) | NPC1RAB9ATDP1LMNAGPR183 | |
| SCHEMBL7698096 | 0.83 | CCR2 (0.67) | NPC1RAB9ATDP1LMNAGPR183 | |
| SCHEMBL5946946 | 0.82 | CCR2 (0.62) | NPC1RAB9ATDP1LMNAGAA |
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-7632829-B2 | Diazepan derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-12-15 | — | — | US | disclosed |
| US-20070249589-A1 | Novel diazepan derivatives | F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) | 2007-10-25 | — | — | 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-20070249589-A1 | Novel diazepan derivatives | CCR3, CCR1, CCR10 | NPC1 1598/4885RAB9A 1942/4885TDP1 3846/4885 |
“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.