Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | PROKR1 | Q8TCW9 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MAP3K12 | Q12852 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 2/20 | 0.39 |
| ▸ | CNR2 | P34972 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL16220115 | 0.85 | TRPV3 (0.46) | ALDH1A1KDM4EHPGDNPSR1HSD17B10 | |
| SCHEMBL22123225 | 0.84 | MAP3K12 (0.45) | PROKR1MAP3K12 | |
| SCHEMBL16220250 | 0.79 | KDM4E (0.46) | ALDH1A1KDM4EHPGDNPSR1HSD17B10 | |
| SCHEMBL16210779 | 0.77 | TRPV3 (0.46) | ALDH1A1KDM4EHPGDHSD17B10GLA | |
| SCHEMBL16211905 | 0.76 | SPR (0.37) | MAP3K12RAB9A | |
| SCHEMBL16211959 | 0.75 | MAP3K12 (0.48) | PROKR1MAP3K12 | |
| SCHEMBL2881051 | 0.74 | JAK2 (0.47) | MAP3K12PDE4BRAB9A | |
| SCHEMBL22239462 | 0.73 | PDE4B (0.33) | PROKR1MAP3K12PDE4B | |
| SCHEMBL8239996 | 0.73 | POLB (0.40) | KDM4EHSD17B10PROKR1KMT2AMAP3K12 | |
| SCHEMBL25087319 | 0.72 | MAP3K12 (0.44) | PROKR1MAP3K12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2991977-B1 | C-LINKED HETEROCYCLOALKYL SUBSTITUTED PYRIMIDINES AND THEIR USES | HOFFMANN LA ROCHE (CH) | 2020-07-22 | — | — | EP | disclosed |