Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CTRC | Q99895 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 6/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28501588 | 1.00 | NPC1 (0.51) | NPC1RAB9ACYP1A2CTRCL3MBTL1 | |
| SCHEMBL28510819 | 0.89 | RAB9A (0.46) | NPC1RAB9AL3MBTL1KDM4ELMNA | |
| SCHEMBL28552188 | 0.88 | SMN1; SMN2 (0.45) | NPC1RAB9AL3MBTL1MEN1KMT2A | |
| SCHEMBL28557865 | 0.86 | MEN1 (0.41) | NPC1RAB9ACYP1A2CTRCL3MBTL1 | |
| SCHEMBL28511914 | 0.86 | NPC1 (0.46) | NPC1RAB9ASMN1; SMN2ADORA2AADORA1 | |
| SCHEMBL29627547 | 0.86 | NPC1 (0.46) | NPC1RAB9ASMN1; SMN2ADORA2AADORA1 | |
| SCHEMBL28517001 | 0.82 | ALDH1A1 (0.48) | NPC1RAB9AKDM4ELMNAGAA | |
| SCHEMBL28514742 | 0.82 | MAPT (0.50) | CYP1A2L3MBTL1KDM4EHPGDALDH1A3 | |
| SCHEMBL28513259 | 0.82 | MAPT (0.50) | CYP1A2L3MBTL1KDM4EHPGDALDH1A3 | |
| SCHEMBL28506811 | 0.82 | ALDH1A1 (0.48) | NPC1RAB9AKDM4ELMNAGAA |
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-112159364-B | Synthetic method of isothiazole derivative | 温州大学 | 2022-06-24 | — | — | CN | disclosed |
| CN-112159364-A | Synthetic method of isothiazole derivative | 温州大学 | 2021-01-01 | — | — | CN | disclosed |