Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 15/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 9/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 9/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8970630 | 0.88 | SLC6A3 (0.41) | SLC6A3NPC1RAB9ASLC6A2SLC6A4 | |
| SCHEMBL8971569 | 0.85 | SLC6A3 (0.43) | SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL8782641 | 0.82 | SLC6A3 (0.46) | SLC6A3NPC1RAB9ASLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL8369516 | 0.81 | SLC6A3 (0.45) | SLC6A3NPC1RAB9ASLC6A2SLC6A4 | |
| SCHEMBL8558548 | 0.81 | SLC6A3 (0.41) | SLC6A3NPC1RAB9ASLC6A2SLC6A4 | |
| SCHEMBL7305694 | 0.81 | SLC6A3 (0.44) | SLC6A3NPC1RAB9ASLC6A2SLC6A4 | |
| SCHEMBL8562592 | 0.76 | SLC6A3 (0.48) | SLC6A3SLC6A2SLC6A4CYP3A4CYP2D6 | |
| SCHEMBL9318198 | 0.74 | SLC6A3 (0.46) | SLC6A3SLC6A2SLC6A4CYP3A4CYP2D6 | |
| SCHEMBL9053699 | 0.73 | SLC6A3 (0.44) | SLC6A3NPC1RAB9ASLC6A2SLC6A4 | |
| SCHEMBL8970528 | 0.72 | SLC6A2 (0.47) | SLC6A3SLC6A2SLC6A4CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0700386-A1 | NEUROKININ RECEPTOR ANTAGONISTS | SANOFI (FR) | 1996-03-13 | — | — | EP | disclosed |
| WO-1995026338-A1 | NEUROKININ RECEPTOR ANTAGONISTS | SANOFI (FR) | 1995-10-05 | — | — | WO | disclosed |