Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP12 | P39900 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 2/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8022607 | 0.87 | ALDH1A1 (0.53) | ALDH1A1MAPTKDM4EHSD17B10CYP3A4 | |
| SCHEMBL607429 | 0.84 | ALDH1A1 (0.47) | ALDH1A1MAPTRAB9APOLBPKM | |
| SCHEMBL777869 | 0.84 | MAPT (0.57) | ALDH1A1MAPTRAB9APOLBPKM | |
| SCHEMBL31554190 | 0.84 | MAPT (0.57) | ALDH1A1MAPTRAB9APOLBPKM | |
| SCHEMBL16752332 | 0.83 | ALDH1A1 (0.46) | ALDH1A1MAPTRAB9APOLBPKM | |
| SCHEMBL5936403 | 0.82 | ALDH1A1 (0.52) | ALDH1A1MAPTRAB9APOLBPKM | |
| SCHEMBL13098120 | 0.81 | ALDH1A1 (0.44) | ALDH1A1MAPTRAB9APOLBPKM | |
| SCHEMBL27721750 | 0.79 | ALDH1A1 (0.46) | ALDH1A1MAPTRAB9APOLBPKM | |
| SCHEMBL28840713 | 0.79 | MAPT (0.47) | ALDH1A1MAPTRAB9APOLBPKM | |
| SCHEMBL29095208 | 0.79 | MMP1 (0.40) | ALDH1A1MAPTRAB9APOLBPKM |
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-104011021-B | heterocyclic derivatives and their use as prostaglandin D2 receptor modulators | 埃科特莱茵药品有限公司 | 2016-08-24 | — | — | CN | disclosed |