Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.63 |
| ▸ | RAB9A | P51151 | 1/20 | 0.63 |
| ▸ | SLC6A4 | P31645 | 19/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 19/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 18/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | RGS12 | O14924 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11640087 | 0.84 | NPC1 (0.62) | NPC1RAB9ASLC6A4SLC6A3SLC6A2 | |
| SCHEMBL11218070 | 0.82 | NPC1 (0.47) | NPC1RAB9ASLC6A4SLC6A3SLC6A2 | |
| SCHEMBL11004967 | 0.80 | NPC1 (0.45) | NPC1RAB9ASLC6A4SLC6A3SLC6A2 | |
| SCHEMBL11000109 | 0.80 | SLC6A2 (0.46) | NPC1RAB9ASLC6A4SLC6A3SLC6A2 | |
| SCHEMBL11215415 | 0.79 | SLC6A2 (0.44) | NPC1RAB9ASLC6A4SLC6A3SLC6A2 | |
| Hydrochloric Acid SCHEMBL11222430 | 0.79 | SLC6A2 (0.45) | NPC1RAB9ASLC6A4SLC6A3SLC6A2 | |
| SCHEMBL11040777 | 0.78 | NPC1 (1.00) | NPC1RAB9ASLC6A4SLC6A3SLC6A2 | |
| SCHEMBL29389716 | 0.78 | NPC1 (1.00) | NPC1RAB9ASLC6A4SLC6A3SLC6A2 | |
| Bromide SCHEMBL11038376 | 0.77 | NPC1 (0.97) | NPC1RAB9ASLC6A4SLC6A3SLC6A2 | |
| Bromide SCHEMBL29634856 | 0.77 | NPC1 (0.97) | NPC1RAB9ASLC6A4SLC6A3SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4550106-A | ANTIDEPRESSANTS | BOEHRINGER INGELHEIM KG (DE) | 1985-10-29 | — | — | US | disclosed |
| US-4482559-A | ANTIDEPRESSANT | BOEHRINGER INGELHEIM KG (DE) | 1984-11-13 | — | — | US | disclosed |