Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 5/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MITF | O75030 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8540999 | 0.85 | TBXAS1 (0.51) | TBXAS1ALDH1A1SMN1; SMN2KDM4EMAPT | |
| SCHEMBL15551773 | 0.84 | USP2 (0.53) | USP2ALDH1A1SMN1; SMN2KDM4EMAPT | |
| SCHEMBL1882925 | 0.82 | IDO1 (0.51) | ALDH1A1SMN1; SMN2KDM4EMAPTMEN1 | |
| SCHEMBL10948212 | 0.78 | TBXAS1 (0.72) | TBXAS1USP2ALDH1A1 | |
| SCHEMBL1979034 | 0.78 | CYP4F2 (0.53) | TBXAS1ALDH1A1SMN1; SMN2KDM4EMAPT | |
| SCHEMBL27538174 | 0.78 | ALDH1A1 (0.49) | TBXAS1ALDH1A1SMN1; SMN2KDM4EMAPT | |
| SCHEMBL2010417 | 0.76 | USP2 (0.67) | USP2ALDH1A1SMN1; SMN2KDM4EMAPT | |
| SCHEMBL11233639 | 0.75 | TBXAS1 (0.57) | TBXAS1USP2ALDH1A1 | |
| SCHEMBL5511363 | 0.74 | IDO1 (0.53) | ALDH1A1SMN1; SMN2KDM4EMAPTMEN1 | |
| SCHEMBL16198144 | 0.74 | PORCN (0.69) | ALDH1A1SMN1; SMN2MAPTNPC1RAB9A |
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-2014016789-A1 | PYRAZOLO[3,4-D]PYRIMIDIN-4(5H)-ONE DERIVATIVES AS PDE9 INHIBITORS | CELON PHARMA S.A. (PL) | 2014-01-30 | — | — | WO | disclosed |