Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 6/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.42 |
| ▸ | CHRNA1 | P02708 | 3/20 | 0.42 |
| ▸ | CHRNG | P07510 | 3/20 | 0.42 |
| ▸ | ITGA5 | P08648 | 3/20 | 0.42 |
| ▸ | CHRNB1 | P11230 | 3/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.42 |
| ▸ | CHRND | Q07001 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL4288935 | 0.92 | TSHR (0.39) | SLC6A2SLC6A4SLC6A3NPC1RAB9A | |
| SCHEMBL4292808 | 0.91 | SLC6A3 (0.45) | SLC6A2SLC6A4SLC6A3HTT | |
| SCHEMBL4280118 | 0.86 | HTR2A (0.40) | HRH3HSD11B1HCRTR1HCRTR2BTK | |
| SCHEMBL4291881 | 0.84 | SLC6A3 (0.40) | SLC6A2SLC6A4SLC6A3CHRNA1CHRNG | |
| SCHEMBL4294068 | 0.82 | POLB (0.36) | CHRNB4CHRNA3SMN1; SMN2KDM4EPOLB | |
| SCHEMBL4291623 | 0.81 | HCRTR2 (0.41) | RAB9AKDM4EPOLBHSD11B1HCRTR2 | |
| SCHEMBL4285849 | 0.80 | SLC6A4 (0.47) | SLC6A2SLC6A4SLC6A3CHRNA1CHRNG | |
| SCHEMBL4285491 | 0.79 | KMT2A (0.41) | SLC6A2SLC6A4SLC6A3SMN1; SMN2ALDH1A1 | |
| SCHEMBL4282511 | 0.78 | HSD17B10 (0.46) | SMN1; SMN2ALDH1A1HTTTSHRHCRTR2 | |
| SCHEMBL4281406 | 0.76 | KDM4E (0.36) | KDM4EALDH1A1MAPTHTT |
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-2009072643-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-06-11 | — | — | WO | disclosed |