Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.30 |
| ▸ | UGT2B17 | O75795 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15833700 | 0.90 | IDO1 (0.30) | — | |
| SCHEMBL5111399 | 0.83 | ACHE (0.38) | ACHECYP1A2CYP2C9TSHRALDH1A1 | |
| SCHEMBL14884981 | 0.83 | ACHE (0.38) | ACHECYP1A2CYP2C9TSHRALDH1A1 | |
| SCHEMBL10287319 | 0.83 | ACHE (0.38) | ACHECYP1A2CYP2C9TSHRALDH1A1 | |
| SCHEMBL10286285 | 0.78 | ACHE (0.34) | ACHEALDH1A1KCNH2UGT2B17 | |
| SCHEMBL23132902 | 0.78 | CHRNB2 (0.44) | ALDH1A1KCNH2 | |
| SCHEMBL10286327 | 0.77 | ACHE (0.39) | ACHEP2RX7CYP1A2CYP2C9TSHR | |
| SCHEMBL4063983 | 0.76 | ACHE (0.38) | ACHEP2RX7CYP1A2CYP2C9TSHR | |
| SCHEMBL10287316 | 0.76 | ACHE (0.41) | ACHECYP1A2CYP2C9TSHRALDH1A1 | |
| SCHEMBL868218 | 0.76 | ACHE (0.41) | ACHECYP1A2CYP2C9TSHRALDH1A1 |
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-2014096106-A1 | USING MIXTURES OF E/Z ISOMERS TO OBTAIN QUANTITATIVELY SPECIFIC PRODUCTS BY COMBINED ASYMMETRIC HYDROGENATIONS | DSM IP ASSETS B.V. (NL) | 2014-06-26 | — | — | WO | disclosed |