Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 9/20 | 0.65 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | ADAM10 | O14672 | 1/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11819290 | 0.86 | SIGMAR1 (0.56) | SIGMAR1MEN1KMT2ACHRM2CHRM4 | |
| SCHEMBL11831183 | 0.83 | SIGMAR1 (0.60) | SIGMAR1MEN1KMT2ACHRM2CHRM4 | |
| SCHEMBL11821735 | 0.82 | SIGMAR1 (0.51) | SIGMAR1MEN1KMT2A | |
| SCHEMBL11834114 | 0.81 | SIGMAR1 (0.64) | SIGMAR1MEN1KMT2ACHRM2CHRM4 | |
| SCHEMBL11823123 | 0.80 | SIGMAR1 (0.65) | SIGMAR1MEN1KMT2ACHRM2CHRM4 | |
| SCHEMBL16197372 | 0.79 | SIGMAR1 (1.00) | SIGMAR1HTR2AHTR2CADAM10ERBB2 | |
| SCHEMBL21268106 | 0.79 | SIGMAR1 (1.00) | SIGMAR1HTR2AHTR2CADAM10ERBB2 | |
| SCHEMBL21268109 | 0.79 | SIGMAR1 (1.00) | SIGMAR1HTR2AHTR2CADAM10ERBB2 | |
| SCHEMBL16197282 | 0.79 | SIGMAR1 (1.00) | SIGMAR1HTR2AHTR2CADAM10ERBB2 | |
| SCHEMBL11828244 | 0.79 | SIGMAR1 (0.67) | SIGMAR1MEN1KMT2ACHRM2CHRM4 |
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-3980797-A | Hexahydro-diazepino-indole derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1976-09-14 | — | — | US | claimed |
| US-3980797-A | Hexahydro-diazepino-indole derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1976-09-14 | — | — | US | disclosed |