Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | NAAA | Q02083 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SCN1A | P35498 | 1/20 | 0.36 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.36 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.36 |
| ▸ | HRH2 | P25021 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11038892 | 1.00 | ALDH1A1 (0.42) | ALDH1A1HTTGRM2MGLLMAPT | |
| SCHEMBL11040539 | 0.99 | ALDH1A1 (0.42) | ALDH1A1HTTGRM2MGLLMAPT | |
| SCHEMBL11404124 | 0.99 | ALDH1A1 (0.42) | ALDH1A1HTTGRM2MGLLMAPT | |
| SCHEMBL11418274 | 0.99 | ALDH1A1 (0.42) | ALDH1A1HTTGRM2MGLLMAPT | |
| SCHEMBL11040542 | 0.99 | ALDH1A1 (0.42) | ALDH1A1HTTGRM2MGLLMAPT | |
| SCHEMBL11406713 | 0.97 | ALDH1A1 (0.43) | ALDH1A1HTTMGLLMAPTNAAA | |
| SCHEMBL11312998 | 0.95 | ALDH1A1 (0.44) | ALDH1A1HTTGRM2MGLLMAPT | |
| SCHEMBL11044116 | 0.92 | CYP2C9 (0.40) | ALDH1A1HTTMAPTSIGMAR1KMT2A | |
| SCHEMBL11044114 | 0.92 | CYP2C9 (0.40) | ALDH1A1HTTMAPTSIGMAR1KMT2A | |
| SCHEMBL10799859 | 0.92 | CYP2C9 (0.40) | ALDH1A1HTTMAPTSIGMAR1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-4487954-A | LIQUID CRYSTALS | CHISSO CORPORATION (JP) | 1984-12-11 | — | — | US | disclosed |