Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
| ▸ | FLT3 | P36888 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16329418 | 0.74 | BRD4 (0.38) | CHRNA7CYP2A6AOC3NPC1RAB9A | |
| SCHEMBL3330972 | 0.72 | NR1H4 (0.41) | CHRNB2CHRNA7CHRNA4AOC3 | |
| SCHEMBL5382942 | 0.71 | METTL3 (0.43) | CHRNB2CHRNA7CHRNA4CYP2A6AOC3 | |
| SCHEMBL7385487 | 0.71 | PARP1 (0.41) | CYP2A6AOC3NPC1RAB9ALOXL2 | |
| SCHEMBL73543 | 0.70 | AOC3 (0.47) | CHRNA7CYP2A6AOC3NPC1RAB9A | |
| SCHEMBL3511783 | 0.68 | SLC6A2 (0.60) | CHRNB2CHRNA7CHRNA4CYP2A6SLC6A4 | |
| SCHEMBL9775944 | 0.68 | AOC3 (0.38) | CYP2A6AOC3NPC1RAB9ASLC6A4 | |
| SCHEMBL29034370 | 0.68 | AOC3 (0.38) | CYP2A6AOC3NPC1RAB9ASLC6A4 | |
| SCHEMBL1889514 | 0.67 | CHRNB2 (0.65) | CHRNB2CHRNA7CHRNA4CYP2A6NPC1 | |
| SCHEMBL3640169 | 0.67 | AOC3 (0.44) | CYP2A6AOC3NPC1RAB9ALOXL2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1077213-A2 | Inhibition of serotonin reuptake | ELI LILLY AND COMPANY (US) | 2001-02-21 | — | — | EP | disclosed |
| US-6046215-A | A PIPERIDINYLBENZOTHIOPHENES USEFUL FOR TRATING BRAIN DISORDERS | ELI LILLY AND COMPANY (US) | 2000-04-04 | — | — | US | disclosed |
| US-5846982-A | Inhibition of serotonin reuptake | ELI LILLY AND COMPANY (US) | 1998-12-08 | — | — | US | disclosed |
| EP-0812826-A1 | 1H-indole and benzo(b)thiophene derivatives with 4-(1,2,3,6-tetra:hydro:pyridinyl)- and 4-piperidinyl-groups bound to the heterocyclic ring as inhibitors of serotonin reuptake | ELI LILLY AND COMPANY (US) | 1997-12-17 | — | — | EP | disclosed |