Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 6/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CHUK | O15111 | 1/20 | 0.32 |
| ▸ | AXL | P30530 | 1/20 | 0.32 |
| ▸ | EP300 | Q09472 | 1/20 | 0.32 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.32 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.32 |
| ▸ | MPI | P34949 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17341871 | 0.80 | ACHE (0.38) | ROCK1ACHECYP2A6GAANPC1 | |
| SCHEMBL31078826 | 0.77 | EP300 (0.39) | ROCK1ACHECYP2A6GAASMN1; SMN2 | |
| SCHEMBL3963141 | 0.77 | AXL (0.39) | ROCK1ACHEIMPDH2CYP2A6GAA | |
| SCHEMBL17340878 | 0.74 | ACHE (0.34) | ROCK1ACHECYP2A6AXLEP300 | |
| SCHEMBL19135538 | 0.74 | ACHE (0.38) | ROCK1ACHECYP2A6AXLEP300 | |
| SCHEMBL11884982 | 0.74 | CYP2A6 (0.42) | ROCK1ACHECYP2A6AXLEP300 | |
| SCHEMBL154877 | 0.71 | LOXL2 (0.53) | GAANPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL23059154 | 0.70 | CYP1A2 (0.35) | ACHECYP2A6LMNAHPGDKDM4E | |
| SCHEMBL13119265 | 0.69 | CYP2A6 (0.52) | ROCK1CYP2A6SMN1; SMN2MAPTKDM4E | |
| SCHEMBL15276658 | 0.69 | MCL1 (0.37) | CYP2A6GAANPC1RAB9ALMNA |
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-2001039759-A2 | SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2001-06-07 | — | — | WO | disclosed |