Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28554724 | 0.93 | KDM4E (0.42) | KDM4EHPGDALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL28555506 | 0.87 | POLB (0.48) | NPC1KDM4EHPGDALDH1A1HSD17B10 | |
| SCHEMBL28226562 | 0.87 | HSD17B10 (0.46) | NPC1RAB9ATDP1HPGDALDH1A1 | |
| SCHEMBL28553914 | 0.83 | MEN1 (0.43) | NPC1RAB9ATDP1KDM4EALDH1A1 | |
| SCHEMBL4818876 | 0.81 | TSHR (0.62) | NPC1RAB9AALDH1A1TSHRHSD17B10 | |
| SCHEMBL28549645 | 0.81 | MEN1 (0.43) | NPC1RAB9ATDP1KDM4EHPGD | |
| SCHEMBL28544906 | 0.79 | ALDH1A1 (0.56) | NPC1RAB9AKDM4EHPGDALDH1A1 | |
| SCHEMBL29476001 | 0.76 | KDM4E (0.69) | KDM4EHPGDALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL9820015 | 0.75 | MAPT (0.61) | NPC1RAB9ATDP1KDM4EHPGD | |
| SCHEMBL10108701 | 0.75 | NPC1 (0.55) | NPC1RAB9ATDP1SMN1; SMN2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-108191786-B | 2, 5-substituent-1, 3, 4-oxadiazole disulfone derivative, preparation method and application thereof | 贵州大学 | 2021-04-30 | — | — | CN | claimed |
| CN-108191786-B | 2, 5-substituent-1, 3, 4-oxadiazole disulfone derivative, preparation method and application thereof | 贵州大学 | 2021-04-30 | — | — | CN | disclosed |