Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 2/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28529536 | 0.81 | CYP1A2 (0.63) | CYP1A2LMNAADORA2AADORA2BMEN1 | |
| SCHEMBL28521892 | 0.74 | TYRO3 (0.34) | CYP1A2ALDH1A1KDM4EGAAPDE3B | |
| SCHEMBL17813483 | 0.73 | LMNA (0.45) | CYP1A2LMNAADORA2AADORA2BMEN1 | |
| SCHEMBL22836260 | 0.72 | LMNA (0.44) | CYP1A2LMNAADORA2AADORA2BMEN1 | |
| SCHEMBL28522267 | 0.71 | PDE3B (0.41) | LMNAADORA2AADORA2BMEN1PABPC1 | |
| SCHEMBL25950360 | 0.70 | ADORA2B (0.41) | CYP1A2LMNAADORA2AADORA2BMEN1 | |
| SCHEMBL29795155 | 0.66 | LMNA (0.46) | LMNAADORA2AADORA2BMEN1PABPC1 | |
| SCHEMBL979460 | 0.66 | LMNA (0.46) | LMNAADORA2AADORA2BMEN1PABPC1 | |
| SCHEMBL977863 | 0.65 | CYP1A2 (0.75) | CYP1A2MTOR | |
| SCHEMBL18850911 | 0.64 | LMNA (0.49) | LMNAADORA2AADORA2BMEN1PABPC1 |
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-108473476-B | Alkynyl heterocyclic compounds for inhibiting protein kinase activity | 深圳市塔吉瑞生物医药有限公司 | 2021-02-19 | — | — | CN | disclosed |