Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.39 |
| ▸ | HTR5A | P47898 | 2/20 | 0.39 |
| ▸ | KDM1A | O60341 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22989888 | 0.80 | HTR5A (0.37) | CD44HTR5AKDM1AKDM4EALDH1A1 | |
| SCHEMBL28218037 | 0.77 | HTR5A (0.35) | CD44HTR5AALDH1A1HDAC4ALOX12 | |
| SCHEMBL25027774 | 0.74 | CD44 (0.38) | CD44HTR5AKDM1AKDM4EALDH1A1 | |
| SCHEMBL15222152 | 0.72 | CD44 (0.47) | CD44HTR5AKDM1AKDM4EALDH1A1 | |
| SCHEMBL2461763 | 0.69 | KDM1A (0.50) | KDM1AALDH1A1CYP3A4TDP1MAOB | |
| SCHEMBL15868752 | 0.68 | PNMT (0.37) | CD44HTR5ATAAR1 | |
| SCHEMBL20687388 | 0.68 | HTR5A (0.34) | CD44HTR5AKDM1AHDAC4 | |
| SCHEMBL22559554 | 0.68 | KDM1A (0.38) | CD44KDM1AKDM4EALDH1A1LMNA | |
| SCHEMBL15977207 | 0.67 | HTR5A (0.33) | CD44HTR5A | |
| SCHEMBL17208928 | 0.67 | HTR2C (0.36) | HTR5AALOX12 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105792821-B | Therapeutic and/or prophylactic agent for pain comprising 1-indansulfamide derivative | 卫材R&D管理有限公司 | 2018-05-04 | — | — | CN | disclosed |