Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 9/20 | 0.51 |
| ▸ | HTR2C | P28335 | 7/20 | 0.46 |
| ▸ | HTR2A | P28223 | 5/20 | 0.46 |
| ▸ | HTR2B | P41595 | 6/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11824413 | 0.86 | SIGMAR1 (0.47) | SIGMAR1HTR2CHTR2AHTR2BMEN1 | |
| SCHEMBL11830000 | 0.80 | HTR2C (0.52) | SIGMAR1HTR2CHTR2AHTR2BMEN1 | |
| SCHEMBL11820579 | 0.79 | DRD2 (0.56) | SIGMAR1HTR2CHTR2ADRD2 | |
| SCHEMBL11822694 | 0.78 | SIGMAR1 (0.65) | SIGMAR1HTR2CHTR2AMEN1KMT2A | |
| SCHEMBL24188237 | 0.77 | OPRM1 (0.55) | SIGMAR1HTR2CHTR2AHTR2BMEN1 | |
| SCHEMBL11829773 | 0.77 | SIGMAR1 (0.52) | SIGMAR1HTR2CHTR2AHTR2BMEN1 | |
| SCHEMBL11821644 | 0.77 | DRD2 (0.53) | SIGMAR1HTR2CHTR2AHTR2BMEN1 | |
| SCHEMBL11818591 | 0.76 | HTR2C (0.51) | SIGMAR1HTR2CHTR2AHTR2BMEN1 | |
| SCHEMBL11822084 | 0.75 | HTR2C (0.50) | SIGMAR1HTR2CHTR2AHTR2BMEN1 | |
| SCHEMBL11819043 | 0.75 | SIGMAR1 (0.52) | SIGMAR1HTR2CHTR2AHTR2BMEN1 |
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 1 patent. 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 | disclosed |