Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 7/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.43 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL23993002 | 0.82 | HDAC8 (0.47) | HDAC8HDAC6SCN3AMAOAKDM1A | |
| SCHEMBL23995347 | 0.81 | ALDH1A1 (0.48) | HPGDTSHRHTTSMN1; SMN2CA12 | |
| SCHEMBL23993000 | 0.80 | CYP2C9 (0.49) | MAOAKDM1AMAOBHTR2CCA1 | |
| SCHEMBL22335141 | 0.77 | KDM1A (0.69) | MAOAKDM1ARCOR1MAOB | |
| SCHEMBL15780111 | 0.77 | KDM1A (0.69) | MAOAKDM1ARCOR1MAOB | |
| SCHEMBL22335158 | 0.76 | GAA (0.58) | HTTMAOAKDM1ARCOR1MAOB | |
| SCHEMBL22335095 | 0.76 | MAOA (0.46) | MAOAKDM1ARCOR1MAOB | |
| SCHEMBL22334926 | 0.75 | KDM1A (0.53) | HDAC2SMN1; SMN2HDAC1MAOAKDM1A | |
| SCHEMBL25004775 | 0.74 | HDAC2 (0.46) | PLK1HDAC8HDAC6HDAC2HPGD | |
| SCHEMBL22335160 | 0.73 | KDM1A (0.73) | HDAC8HDAC6HDAC2HDAC1MAOA |
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-2021222522-A1 | CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2021-11-04 | — | — | WO | disclosed |