Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 6/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 6/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 4/20 | 0.37 |
| ▸ | MIF | P14174 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2738313 | 0.78 | KDM4E (0.49) | TSHRMAPK1PDE5APDE4BPDE3A | |
| SCHEMBL13708517 | 0.77 | MPO (0.42) | TSHRMAPTMAPK1CASP1CASP7 | |
| SCHEMBL14158377 | 0.77 | PDE5A (0.41) | TSHRMAPTMAPK1CASP1CASP7 | |
| SCHEMBL27371927 | 0.75 | MIF (0.37) | TSHRPDE5APDE4BPDE3AMIF | |
| SCHEMBL14158375 | 0.75 | ELANE (0.36) | TSHRMAPTPDE5APDE4BPDE3A | |
| SCHEMBL14239447 | 0.75 | ELANE (0.36) | TSHRMAPTPDE5APDE4BPDE3A | |
| SCHEMBL14158374 | 0.75 | ELANE (0.36) | TSHRMAPTPDE5APDE4BPDE3A | |
| SCHEMBL18993228 | 0.74 | SLC9A1 (0.41) | TSHRMAPTCASP1CASP7PDE5A | |
| SCHEMBL15488683 | 0.74 | MPO (0.37) | TSHRMAPTMAPK1CASP1CASP7 | |
| SCHEMBL18556459 | 0.74 | PDE4B (0.36) | TSHRMAPTMAPK1CASP1CASP7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107337659-A | Compounds as protein kinase modulators | 理森制药股份公司 | 2017-11-10 | — | — | CN | disclosed |
| CN-103702989-B | Novel compounds as modulators of protein kinases | 理森制药股份公司 | 2017-07-07 | — | — | CN | disclosed |