Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 4/20 | 0.43 |
| ▸ | SYK | P43405 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | XBP1 | P17861 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| SCHEMBL1764913 | 0.89 | ALDH1A1 (0.42) | ALDH1A1TSHRCA2CA1CA4 | |
| SCHEMBL1764915 | 0.89 | ALDH1A1 (0.42) | ALDH1A1TSHRCA2CA1CA4 | |
| SCHEMBL29255314 | 0.88 | ALDH1A1 (0.44) | ALDH1A1TSHRCA2CA1CA4 | |
| SCHEMBL15627953 | 0.88 | AAK1 (0.52) | ALDH1A1TSHRCA2CA1CA4 | |
| SCHEMBL10506905 | 0.88 | SYK (0.45) | ALDH1A1TSHRCA2SYKCA1 | |
| SCHEMBL29255200 | 0.88 | ALDH1A1 (0.42) | ALDH1A1TSHRCA2CA1CA4 | |
| SCHEMBL30096762 | 0.87 | ALDH1A1 (0.41) | ALDH1A1TSHRCA2CA1CA4 | |
| SCHEMBL30096737 | 0.87 | ALDH1A1 (0.41) | ALDH1A1TSHRCA2CA1CA4 | |
| SCHEMBL16761784 | 0.86 | CTSS (0.41) | ALDH1A1TSHRCA2CA1CA4 | |
| SCHEMBL16761785 | 0.86 | CTSS (0.41) | ALDH1A1TSHRCA2CA1CA4 |
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-2000064904-A1 | 5,7-BICYCLIC AMIDINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | ASTRAZENECA AB (SE) | 2000-11-02 | — | — | WO | disclosed |