Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | NOS1 | P29475 | 3/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | RET | P07949 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | PLK4 | O00444 | 1/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | CSF1R | P07333 | 1/20 | 0.41 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.41 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.41 |
| ▸ | LTK | P29376 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL24249558 | 0.81 | NOS1 (0.50) | HTR2AHTR2CNOS1HDAC6HDAC1 | |
| SCHEMBL9299469 | 0.79 | NOS1 (0.47) | HTR2AHTR2CNOS1HDAC6HDAC1 | |
| SCHEMBL24210664 | 0.78 | NOS1 (0.55) | HTR2AHTR2CNOS1HDAC6HDAC1 | |
| SCHEMBL24210802 | 0.78 | NOS1 (0.50) | HTR2AHTR2CNOS1HDAC6HDAC1 | |
| SCHEMBL30402508 | 0.78 | NOS1 (0.55) | HTR2AHTR2CNOS1HDAC6HDAC1 | |
| SCHEMBL12181032 | 0.78 | NOS1 (0.53) | HTR2AHTR2CNOS1HDAC6MAPT | |
| SCHEMBL3399692 | 0.77 | NOS1 (0.46) | HTR2AHTR2CNOS1MAPTRET | |
| SCHEMBL9300417 | 0.76 | KCNH2 (0.46) | HTR2AHTR2CNOS1MAPTRET | |
| SCHEMBL27236463 | 0.76 | NOS1 (0.45) | HTR2AHTR2CNOS1MAPTRET | |
| SCHEMBL24210702 | 0.75 | NOS1 (0.51) | HTR2AHTR2CNOS1HDAC6HDAC1 |
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-105980384-B | Macrocyclic compounds having a heterocyclic P2' group as factor XIA inhibitors | 百时美施贵宝公司 | 2019-11-15 | — | — | CN | disclosed |