Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 12/20 | 1.00 |
| ▸ | KDM4E | B2RXH2 | 10/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 1.00 |
| ▸ | HPGD | P15428 | 7/20 | 1.00 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.67 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.67 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.67 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.67 |
| ▸ | NPC1 | O15118 | 12/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.59 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.59 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.59 |
| ▸ | RELA | Q04206 | 2/20 | 0.59 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL2274986 | 0.83 | NPC1 (0.76) | RAB9AKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL7059841 | 0.82 | ALDH1A1 (0.73) | RAB9AKDM4EALDH1A1HPGDHSD17B10 | |
| Hydrochloric Acid SCHEMBL4929292 | 0.81 | NPC1 (0.73) | RAB9AKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL158705 | 0.81 | CYP2A6 (1.00) | RAB9AKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL29590048 | 0.81 | CYP2A6 (1.00) | RAB9AKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL13762461 | 0.81 | KDM4E (0.70) | RAB9AKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL38657585 | 0.80 | NPC1 (0.72) | RAB9AKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL13197417 | 0.78 | NPC1 (0.74) | RAB9AKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL2035412 | 0.78 | RAB9A (0.63) | RAB9AKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL1423000 | 0.76 | NPC1 (0.67) | RAB9AKDM4EALDH1A1HPGDHSD17B10 |
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-1996019464-A1 | 5-SUBSTITUTED-2-(THIOCYANATOMETHYLTHIO)-1,3,4-OXADIAZOLES USEFUL AS ANTIMICROBIALS AND ANTIFOULANTS | THE DOW CHEMICAL COMPANY (US) | 1996-06-27 | — | — | WO | disclosed |