Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | RAB9A | P51151 | 1/20 | 0.59 |
| ▸ | ABL1 | P00519 | 1/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 2/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.46 |
| ▸ | DAO | P14920 | 1/20 | 0.46 |
| ▸ | ACP3 | P15309 | 1/20 | 0.45 |
| ▸ | CPT1A | P50416 | 1/20 | 0.44 |
| ▸ | MIF | P14174 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6076332 | 0.82 | LTA4H (0.44) | NPC1RAB9ATAAR1IDO1LTA4H | |
| SCHEMBL3237564 | 0.80 | TAAR1 (0.64) | TAAR1IDO1LTA4HHTR2AHTR2C | |
| SCHEMBL28571991 | 0.77 | MAPK1 (0.56) | RAB9ATAAR1IDO1DAOMIF | |
| SCHEMBL7435425 | 0.74 | TAAR1 (0.58) | TAAR1IDO1LTA4HHTR2AHTR2C | |
| SCHEMBL30370514 | 0.74 | TAAR1 (0.58) | TAAR1IDO1LTA4HHTR2AHTR2C | |
| SCHEMBL28310259 | 0.74 | NPC1 (0.56) | NPC1TAAR1IDO1KDM4E | |
| SCHEMBL27071197 | 0.74 | MAOA (0.46) | TAAR1KDM4E | |
| SCHEMBL6560649 | 0.74 | ABL1 (0.49) | NPC1RAB9AABL1TAAR1IDO1 | |
| SCHEMBL27959690 | 0.74 | NPC1 (0.56) | NPC1RAB9AABL1TAAR1IDO1 | |
| SCHEMBL30063565 | 0.72 | LTA4H (0.52) | ABL1TAAR1IDO1LTA4HHTR2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-109776368-B | Novel thiol-pyrethrin chemical modifier and preparation method and application thereof | 广东工业大学 | 2021-05-28 | — | — | CN | disclosed |