Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 1/20 | 0.50 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.50 |
| ▸ | NOS3 | P29474 | 3/20 | 0.48 |
| ▸ | NOS1 | P29475 | 3/20 | 0.48 |
| ▸ | HTR1D | P28221 | 4/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | HTR1B | P28222 | 3/20 | 0.43 |
| ▸ | HTR1A | P08908 | 2/20 | 0.43 |
| ▸ | HTR1F | P30939 | 1/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.42 |
| ▸ | HTR3B | O95264 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | HTR3A | P46098 | 1/20 | 0.42 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.42 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9448887 | 0.91 | NOS3 (0.48) | MTNR1AMTNR1BNOS3NOS1HTR1D | |
| SCHEMBL9448764 | 0.88 | HTR1B (0.49) | MTNR1AMTNR1BNOS3NOS1HTR1D | |
| SCHEMBL9449079 | 0.88 | HTR1D (0.47) | MTNR1AMTNR1BNOS3NOS1HTR1D | |
| SCHEMBL9449276 | 0.87 | NOS3 (0.46) | MTNR1AMTNR1BNOS3NOS1HTR1D | |
| SCHEMBL9448836 | 0.85 | HTR2A (0.61) | MTNR1AMTNR1BNOS3NOS1HTR2A | |
| SCHEMBL9449214 | 0.82 | NOS3 (0.46) | MTNR1AMTNR1BNOS3NOS1HTR1D | |
| SCHEMBL9448957 | 0.82 | NOS3 (0.48) | MTNR1AMTNR1BNOS3NOS1HTR1D | |
| SCHEMBL9449109 | 0.80 | HTR1A (0.47) | MTNR1AMTNR1BNOS3NOS1HTR1D | |
| SCHEMBL9448885 | 0.80 | NOS3 (0.46) | MTNR1AMTNR1BNOS3NOS1HTR1D | |
| SCHEMBL9449161 | 0.80 | NOS3 (0.46) | MTNR1AMTNR1BNOS3NOS1HTR1D |
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-5227386-A | INDOLE DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-07-13 | — | — | US | disclosed |