Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11825932 | 0.89 | DRD2 (0.44) | DRD2ALDH1A1AADATHTR2CHTR2A | |
| SCHEMBL11824894 | 0.85 | HTR2C (0.44) | DRD2ALDH1A1MAPTAADATHTR2C | |
| SCHEMBL11825417 | 0.85 | HTR2C (0.44) | DRD2ALDH1A1MAPTHTR2CHTR2B | |
| SCHEMBL11822206 | 0.83 | HTR2C (0.48) | DRD2HTR2CHTR2AHTR2B | |
| SCHEMBL11824534 | 0.82 | KMT2A (0.44) | DRD2ALDH1A1MAPTAADATHTR2C | |
| SCHEMBL11825449 | 0.82 | NOTUM (0.38) | ALDH1A1MAPTAADATMEN1KMT2A | |
| SCHEMBL11830107 | 0.82 | DRD2 (0.41) | DRD2ALDH1A1MAPTAADATHTR2C | |
| SCHEMBL11821644 | 0.82 | DRD2 (0.53) | DRD2HTR2CHTR2AHTR2BMEN1 | |
| SCHEMBL11822513 | 0.77 | HTR2C (0.51) | DRD2ALDH1A1MAPTAADATHTR2C | |
| SCHEMBL11843127 | 0.77 | DRD2 (0.44) | DRD2MAPTHTR2CHTR2AHTR2B |
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 |