Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.63 |
| ▸ | NPC1 | O15118 | 6/20 | 0.42 |
| ▸ | RAB9A | P51151 | 6/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.36 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Benzo[D]Thiazole SCHEMBL29049433 | 0.88 | ALDH1A1 (0.66) | ALDH1A1HSD17B10NPC1RAB9AKDM4E | |
| Benzo[D]Thiazole SCHEMBL5524095 | 0.88 | ALDH1A1 (0.66) | ALDH1A1HSD17B10NPC1RAB9AKDM4E | |
| Benzo[D]Thiazole SCHEMBL2565700 | 0.86 | ALDH1A1 (0.73) | ALDH1A1HSD17B10NPC1RAB9AKDM4E | |
| Benzo[D]Thiazole SCHEMBL2329959 | 0.84 | ALDH1A1 (0.70) | ALDH1A1HSD17B10NPC1RAB9AKDM4E | |
| Benzo[D]Thiazole SCHEMBL8169978 | 0.82 | ALDH1A1 (0.86) | ALDH1A1HSD17B10NPC1RAB9AKDM4E | |
| Benzo[D]Thiazole SCHEMBL11684233 | 0.80 | ALDH1A1 (0.76) | ALDH1A1HSD17B10NPC1RAB9AKDM4E | |
| Benzo[D]Thiazole SCHEMBL9046279 | 0.80 | ALDH1A1 (0.76) | ALDH1A1HSD17B10NPC1RAB9AKDM4E | |
| Benzo[D]Thiazole SCHEMBL29275430 | 0.80 | ALDH1A1 (0.63) | ALDH1A1HSD17B10NPC1RAB9AKDM4E | |
| Benzamide SCHEMBL17287741 | 0.80 | HSD17B10 (0.63) | ALDH1A1HSD17B10NPC1RAB9AKDM4E | |
| Benzo[D]Thiazole SCHEMBL451685 | 0.80 | — | — |
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-2007045962-A2 | NOVEL HDAC INHIBITORS | ORCHID RESEARCH LABORATORIES LIMITED (IN) | 2007-04-26 | — | — | WO | disclosed |