Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 4/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.42 |
| ▸ | GAK | O14976 | 1/20 | 0.41 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 2/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | NEK2 | P51955 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL5461580 | 0.81 | NOS1 (0.57) | NOS1MAPK1AGTR1LMNAADORA1 | |
| SCHEMBL5614262 | 0.80 | NOS1 (0.51) | NOS1MAPK1GAKAGTR1L3MBTL1 | |
| SCHEMBL5456792 | 0.79 | NOS1 (0.60) | NOS1AGTR1ADORA1 | |
| SCHEMBL6064072 | 0.75 | NOS1 (0.65) | NOS1MAPK1KDM4EMEN1ALDH1A1 | |
| SCHEMBL4451753 | 0.73 | NOS1 (0.53) | NOS1GAKAGTR1PDE4BNEK2 | |
| SCHEMBL6063982 | 0.73 | NOS1 (0.69) | NOS1KDM4EALDH1A1HPGD | |
| SCHEMBL5508808 | 0.73 | NOS1 (1.00) | NOS1MAPK1AGTR1ADORA1KDM4E | |
| Water SCHEMBL6483834 | 0.72 | NOS1 (0.98) | NOS1MAPK1AGTR1ADORA1KDM4E | |
| Water SCHEMBL6483831 | 0.72 | NOS1 (0.98) | NOS1MAPK1AGTR1ADORA1KDM4E | |
| SCHEMBL5461575 | 0.72 | NOS1 (0.51) | NOS1MAPK1AGTR1KDM4EMEN1 |
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-1673092-B1 | HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY | 4 AZA IP NV (BE) | 2007-08-15 | — | — | EP | disclosed |