Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | IDH1 | O75874 | 1/20 | 0.33 |
| ▸ | CDK7 | P50613 | 1/20 | 0.32 |
| ▸ | CCNH | P51946 | 1/20 | 0.32 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.32 |
| ▸ | PANK3 | Q9H999 | 2/20 | 0.31 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 2/20 | 0.31 |
| ▸ | DGKA | P23743 | 1/20 | 0.30 |
| ▸ | DGKZ | Q13574 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | HTR3A | P46098 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23565835 | 0.80 | HTR2A (0.33) | HTR2AHTR2CHTR2BIDH1CTSK | |
| SCHEMBL19249160 | 0.79 | KDM5A (0.34) | PANK3CAMKK2 | |
| SCHEMBL23565849 | 0.78 | KDM4E (0.39) | — | |
| SCHEMBL19301647 | 0.76 | — | — | |
| SCHEMBL19301848 | 0.74 | PDE2A (0.38) | HTR2AHTR2CHTR2BIDH1SLC6A2 | |
| SCHEMBL18368362 | 0.70 | EGLN2 (0.37) | HTR2BIDH1PANK3CAMKK2SLC6A2 | |
| SCHEMBL13515892 | 0.70 | NQO1 (0.36) | IDH1PANK3CAMKK2 | |
| SCHEMBL22135837 | 0.68 | CAMKK2 (0.35) | IDH1PANK3CAMKK2 | |
| SCHEMBL23566780 | 0.68 | CXCR4 (0.40) | HTR2CHTR2BSLC6A2SLC6A4KCNH2 | |
| SCHEMBL23565839 | 0.68 | TSHR (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017147102-A1 | HETEROARYL INHIBITORS OF PAD4 | PADLOCK THERAPEUTICS, INC. (US) | 2017-08-31 | — | — | WO | disclosed |