Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 1/20 | 0.44 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | PNMT | P11086 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | RPA1 | P27694 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | SOS1 | Q07889 | 3/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.37 |
| ▸ | PLA2G1B | P04054 | 2/20 | 0.37 |
| ▸ | ATG4B | Q9Y4P1 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15563577 | 0.83 | TAAR1 (0.45) | PIK3CADAOPNMTTAAR1HDAC3 | |
| SCHEMBL20245287 | 0.82 | MAPT (0.41) | PNMTTAAR1MAPTCYP1A2CYP2D6 | |
| SCHEMBL5650950 | 0.82 | PIK3CA (0.47) | PIK3CADAOPNMTTAAR1HDAC3 | |
| SCHEMBL16388285 | 0.79 | PIK3CA (0.45) | PIK3CADAOPNMTTAAR1HDAC3 | |
| SCHEMBL1503218 | 0.79 | PIK3CA (0.45) | PIK3CADAOPNMTTAAR1HDAC3 | |
| SCHEMBL27606349 | 0.78 | DAO (0.49) | PIK3CADAOPNMTTAAR1HDAC3 | |
| SCHEMBL9663794 | 0.78 | IDO1 (0.58) | PNMTTAAR1TSHRIDO1SLC6A4 | |
| SCHEMBL8065437 | 0.78 | HTT (0.45) | DAOALDH1A1HTTMAOB | |
| SCHEMBL2195620 | 0.77 | PIK3CA (0.47) | PIK3CADAOHDAC3HDAC1HDAC2 | |
| SCHEMBL42420 | 0.77 | PIK3CA (0.44) | PIK3CADAOPNMTTAAR1HDAC3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019076336-A1 | PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF | 江苏豪森药业集团有限公司 | 2019-04-25 | — | — | WO | disclosed |
| WO-2012058173-A1 | HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-05-03 | — | — | WO | disclosed |
| WO-2007139856-A2 | HETEROBICYCLIC METALLOPROTEASE INHIBITORS | ALANTOS PHARMACEUTICALS, INC. (US) | 2007-12-06 | — | — | WO | disclosed |