Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | TEAD1 | P28347 | 3/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | GBA1 | P04062 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6356905 | 0.87 | ALDH1A1 (0.53) | HTR1AALDH1A1MEN1KMT2AL3MBTL1 | |
| SCHEMBL18494061 | 0.85 | HTR1A (0.45) | HTR1ASIGMAR1TEAD1GBA1FAAH | |
| SCHEMBL9474570 | 0.78 | TEAD1 (0.48) | HTR1ATEAD1GBA1FAAH | |
| SCHEMBL9042581 | 0.77 | ALDH1A1 (0.43) | HTR1AALDH1A1MEN1KMT2ASIGMAR1 | |
| SCHEMBL21393255 | 0.76 | TEAD1 (0.64) | HTR1ATEAD1FAAH | |
| SCHEMBL24105172 | 0.75 | JAK2 (0.55) | HTR1ATEAD1PKM | |
| SCHEMBL3068861 | 0.75 | JAK2 (0.55) | HTR1ATEAD1PKM | |
| SCHEMBL9041117 | 0.74 | HRH3 (0.58) | HTR1ASIGMAR1 | |
| SCHEMBL9201481 | 0.72 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2AGBA1ATM | |
| SCHEMBL22605205 | 0.72 | HTR1A (0.48) | HTR1ASIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017021920-A1 | DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY | INDIVIOR UK LIMITED (GB) | 2017-02-09 | — | — | WO | disclosed |