Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | KDM1A | O60341 | 6/20 | 0.35 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18013231 | 0.77 | HTT (0.40) | HTTKDM1AKDM1BKMT2AKDM4E | |
| SCHEMBL7856931 | 0.76 | HTT (0.30) | HTT | |
| SCHEMBL28141137 | 0.75 | ESR1 (0.49) | — | |
| SCHEMBL28754653 | 0.75 | HTR2A (0.49) | KDM1AKDM1BHPGD | |
| SCHEMBL27619681 | 0.75 | KDM1A (0.56) | KDM1AKDM1BCYP2A6ALDH1A1 | |
| SCHEMBL7786050 | 0.73 | MAPT (0.36) | HTTKDM1AKDM1B | |
| SCHEMBL7856935 | 0.72 | HTT (0.33) | HTTKDM1A | |
| SCHEMBL23623175 | 0.72 | CHRNB2 (0.47) | — | |
| SCHEMBL7856933 | 0.71 | HTT (0.32) | HTT | |
| Hydrochloric Acid SCHEMBL29988356 | 0.71 | CHRNB2 (0.46) | — |
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-105873909-A | Substituted [1,2,4]triazole and imidazole compounds | 巴斯夫欧洲公司 | 2016-08-17 | — | — | CN | disclosed |