Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.58 |
| ▸ | RAB9A | P51151 | 3/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 4/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.47 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.47 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL39549 | 0.80 | ALDH1A1 (0.54) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL8762392 | 0.80 | LMNA (0.65) | NPC1RAB9AKDM4EALDH1A1HTT | |
| SCHEMBL14019207 | 0.80 | SMN1; SMN2 (0.67) | NPC1RAB9AKDM4EALDH1A1HTT | |
| SCHEMBL8063787 | 0.77 | HDAC1 (0.51) | NPC1RAB9AKDM4EALDH1A1HTT | |
| SCHEMBL38666426 | 0.76 | GAA (0.58) | NPC1RAB9AKDM4EALDH1A1HTT | |
| SCHEMBL4745522 | 0.74 | MEN1 (0.59) | NPC1RAB9AKDM4EALDH1A1HTT | |
| SCHEMBL29215150 | 0.74 | ALDH1A1 (0.76) | NPC1RAB9AKDM4EALDH1A1HTT | |
| SCHEMBL27860725 | 0.74 | HDAC1 (0.65) | NPC1RAB9AKDM4EALDH1A1HTT | |
| SCHEMBL4747655 | 0.73 | GAA (0.58) | NPC1RAB9AKDM4EALDH1A1HTT | |
| SCHEMBL29584617 | 0.73 | HDAC6 (0.69) | NPC1RAB9AKDM4EALDH1A1HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0821676-A1 | 3-PHENYL-1,4-DIALKYL-1,2,4-TRIAZOLIUM SALTS AND THEIR USE AS ANTIDEPRESSANTS | HOECHST MARION ROUSSEL, INC. (US) | 1998-02-04 | — | — | EP | disclosed |
| WO-1996033177-A1 | 3-PHENYL-1,4-DIALKYL-1,2,4-TRIAZOLIUM SALTS AND THEIR USE AS ANTIDEPRESSANTS | HOECHST MARION ROUSSEL, INC. (US) | 1996-10-24 | — | — | WO | disclosed |