Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.51 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.51 |
| ▸ | MTOR | P42345 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | USP2 | O75604 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | RGS12 | O14924 | 2/20 | 0.45 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL974882 | 0.86 | MTOR (0.62) | ADORA3MTORTSHRKMT2AMEN1 | |
| SCHEMBL28068276 | 0.83 | MTOR (0.62) | ADORA3ADORA2BMTOR | |
| SCHEMBL14874599 | 0.81 | ADORA3 (0.48) | ADORA3ADORA2BMTORTSHRLMNA | |
| SCHEMBL28068238 | 0.79 | ADORA3 (0.57) | ADORA3ADORA2BTSHRLMNAKMT2A | |
| SCHEMBL28068202 | 0.78 | MTOR (0.51) | ADORA3ADORA2BMTORTSHRLMNA | |
| SCHEMBL481737 | 0.78 | MTOR (0.79) | MTOR | |
| SCHEMBL30328831 | 0.77 | PDE4A (0.44) | ADORA3ADORA2BMTORMAPTADORA2A | |
| SCHEMBL481827 | 0.77 | MTOR (0.43) | MTORKDM4EALDH1A1HPGD | |
| SCHEMBL28068182 | 0.76 | ADORA3 (0.51) | ADORA3ADORA2BKMT2AUSP2MEN1 | |
| SCHEMBL481723 | 0.75 | GRIN1 (0.50) | — |
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-105693730-A | Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors | 西格诺药品有限公司 | 2016-06-22 | — | — | CN | disclosed |