Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.42 |
| ▸ | LMNA | P02545 | 5/20 | 0.42 |
| ▸ | HPGD | P15428 | 5/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13304413 | 0.84 | LMNA (0.43) | ALDH1A1CA12CA9NOS1KDM4E | |
| SCHEMBL16695830 | 0.76 | KDM4E (0.44) | ALDH1A1KDM4ELMNAHPGDSMN1; SMN2 | |
| SCHEMBL16695822 | 0.76 | PIM1 (0.50) | ALDH1A1POLBKDM4ELMNAHPGD | |
| SCHEMBL16695746 | 0.76 | DAO (0.47) | ALDH1A1MEN1KMT2ACA12CA9 | |
| SCHEMBL2847064 | 0.76 | ALDH1A1 (0.53) | ALDH1A1NPC1MEN1KMT2APOLB | |
| SCHEMBL1202291 | 0.73 | NOS1 (0.62) | ALDH1A1NPC1MEN1KMT2APOLB | |
| SCHEMBL29891596 | 0.73 | NOS1 (0.62) | ALDH1A1NPC1MEN1KMT2APOLB | |
| SCHEMBL10001736 | 0.71 | ALDH1A1 (0.50) | ALDH1A1NPC1MEN1KMT2APOLB | |
| SCHEMBL158747 | 0.70 | F2 (0.52) | ALDH1A1MEN1KMT2APOLBCA12 | |
| SCHEMBL7053264 | 0.70 | — | — |
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-2013007663-A1 | 2-BENZYLSULFANYL[1,3,4]-OXADIAZOLE DERIVATIVES, AND MEDICAL USE THEREOF | Technische Universität Darmstadt (DE) | 2013-01-17 | — | — | WO | disclosed |