Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 1/20 | 0.45 |
| ▸ | LTA4H | P09960 | 8/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | BAX | Q07812 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 2/20 | 0.38 |
| ▸ | PPARA | Q07869 | 2/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.38 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28913652 | 0.82 | LTA4H (0.58) | LTA4HCALM1 | |
| SCHEMBL10269397 | 0.76 | SRD5A2 (0.68) | SRD5A2LTA4HTSHRNR1H2BAX | |
| SCHEMBL28977322 | 0.76 | GAA (0.42) | LTA4HTSHRNR1H2BAXMAOA | |
| SCHEMBL7532413 | 0.75 | CALM1 (0.52) | LTA4HCALM1PLA2G2A | |
| SCHEMBL23098203 | 0.74 | SRD5A2 (0.70) | SRD5A2LTA4HTSHRNR1H2BAX | |
| SCHEMBL9906839 | 0.74 | SRD5A2 (0.70) | SRD5A2LTA4HTSHRNR1H2BAX | |
| SCHEMBL246373 | 0.74 | LTA4H (0.67) | SRD5A2LTA4HTSHRGRIN1GRIN2B | |
| SCHEMBL7178244 | 0.74 | LTA4H (0.67) | SRD5A2LTA4HTSHRGRIN1GRIN2B | |
| SCHEMBL28149724 | 0.72 | CALM1 (0.42) | LTA4HTSHRCALM1 | |
| SCHEMBL1196532 | 0.72 | CALM1 (0.42) | TSHRNR1H2PGRCALM1 |
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-104884458-B | fused heterocyclic compounds as protein kinase inhibitors | 百济神州有限公司 | 2017-04-12 | — | — | CN | disclosed |