Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | ACACB | O00763 | 1/20 | 0.34 |
| ▸ | P4HTM | Q9NXG6 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | MPC2 | O95563 | 1/20 | 0.31 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL20601596 | 0.79 | ACACB (0.34) | ACACBP4HTMCHRM2GRM5SIGMAR1 | |
| SCHEMBL30405431 | 0.79 | ACACB (0.34) | ACACBP4HTMCHRM2GRM5SIGMAR1 | |
| SCHEMBL19672945 | 0.75 | HTT (0.41) | ALDH1A1ACACBP4HTMMAPTNPSR1 | |
| SCHEMBL19992532 | 0.74 | BACE1 (0.38) | ALDH1A1P4HTMMAPT | |
| SCHEMBL20474667 | 0.74 | ABL1 (0.37) | ACACB | |
| SCHEMBL19992531 | 0.73 | ALDH1A1 (0.51) | ALDH1A1MAPT | |
| SCHEMBL27812384 | 0.67 | ACACB (0.44) | ALDH1A1ACACBP4HTMMAPTPPARG | |
| SCHEMBL9112857 | 0.67 | CNR2 (0.40) | ACACB | |
| SCHEMBL2099154 | 0.66 | ABCB1 (0.48) | ALDH1A1MAPT | |
| SCHEMBL21968462 | 0.65 | KMT2A (0.38) | ALDH1A1 |
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-110831925-A | Heteroaryl pyrimidine compound and pest control agent | 日本曹达株式会社 | 2020-02-21 | — | — | CN | disclosed |