Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.43 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28538536 | 0.86 | MCL1 (0.53) | ERAP1ADORA3ADORA1ADORA2AMAOB | |
| SCHEMBL11477475 | 0.84 | ADORA3 (0.53) | ERAP1ADORA3ADORA1ADORA2AMAOB | |
| SCHEMBL11478429 | 0.83 | ADORA3 (0.48) | ERAP1ADORA3ADORA1ADORA2AMAOB | |
| SCHEMBL11483271 | 0.82 | MAOB (0.45) | ERAP1ADORA3ADORA1ADORA2AMAOB | |
| SCHEMBL11477991 | 0.81 | MAOB (0.54) | ERAP1MAOBHPGDKDM4EALDH1A1 | |
| SCHEMBL11480829 | 0.79 | ABCG2 (0.61) | ERAP1ADORA3ADORA1ADORA2AMAOB | |
| SCHEMBL28270700 | 0.78 | ESR2 (0.41) | ADORA3ADORA1HPGDKDM4EALDH1A1 | |
| SCHEMBL5120320 | 0.77 | ESR2 (0.43) | ADORA3ADORA1ADORA2AMAPTMCL1 | |
| SCHEMBL8381781 | 0.77 | MCL1 (0.54) | ADORA3ADORA1ADORA2AHPGDKDM4E | |
| SCHEMBL15676500 | 0.76 | ABCG2 (0.65) | HPGDKDM4EALDH1A1MAPTGAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101817830-B | Method for synthesizing Coumestan derivatives | UNIV TIANJIN | 2011-09-28 | — | — | CN | disclosed |
| CN-101817830-A | Method for synthesizing Coumestan derivatives | UNIV TIANJIN | 2010-09-01 | — | — | CN | disclosed |
| US-4230850-A | HYPOTENSIVE AGENTS, VASODILATION | LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) | 1980-10-28 | — | — | US | disclosed |