Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
| ▸ | ADK | P55263 | 1/20 | 0.31 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18190 | 0.95 | NPC1 (0.42) | KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL1973074 | 0.88 | — | — | |
| Acetonitrile SCHEMBL27785774 | 0.83 | NPC1 (0.40) | KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1 | |
| Dimethyl Sulfoxide SCHEMBL5704214 | 0.83 | NPC1 (0.40) | KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL947710 | 0.80 | — | — | |
| SCHEMBL4765851 | 0.78 | — | — | |
| SCHEMBL6420210 | 0.76 | — | — | |
| SCHEMBL20742881 | 0.76 | — | — | |
| SCHEMBL30371 | 0.76 | — | — | |
| SCHEMBL1430733 | 0.76 | — | — |
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-5807850-A | Therapeutic agent for osteoporosis and triazepine compound | JAPAN TOBACCO, INC. (JP) | 1998-09-15 | — | — | US | disclosed |