Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TYMS | P04818 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MGAM | O43451 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 4/20 | 0.38 |
| ▸ | SI | P14410 | 4/20 | 0.38 |
| ▸ | MGAM2 | Q2M2H8 | 4/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20936149 | 0.79 | PARP1 (0.56) | PARP1ALDH1A1DRD2DRD4DRD3 | |
| SCHEMBL353891 | 0.79 | PARP1 (0.56) | PARP1MGAMGAASIMGAM2 | |
| Bromide SCHEMBL5318091 | 0.78 | PARP1 (0.55) | PARP1MGAMGAASIMGAM2 | |
| SCHEMBL17276083 | 0.76 | NUDT1 (0.51) | ALDH1A1TYMSGAA | |
| SCHEMBL1701339 | 0.76 | PARP1 (0.53) | PARP1ALDH1A1DRD2DRD4DRD3 | |
| SCHEMBL29438962 | 0.76 | PARP1 (0.53) | PARP1ALDH1A1DRD2DRD4DRD3 | |
| SCHEMBL1013125 | 0.76 | PARP1 (0.59) | PARP1ALDH1A1DRD2DRD4DRD3 | |
| SCHEMBL1902643 | 0.76 | PARP1 (0.53) | PARP1ALDH1A1DRD2DRD4DRD3 | |
| SCHEMBL3884588 | 0.76 | PARP1 (0.59) | PARP1ALDH1A1ADRB2HTTKDM4E | |
| SCHEMBL8265192 | 0.76 | PARP1 (0.59) | PARP1ALDH1A1HTTMGAMGAA |
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-2023098699-A1 | COMPOUNDS AND THEIR USES AS CD38 INHIBITORS | NANJING IMMUNOPHAGE BIOTECH CO., LTD (CN) | 2023-06-08 | — | — | WO | disclosed |
| EP-2513113-B1 | 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS | IDENIX PHARMACEUTICALS LLC (US) | 2018-08-01 | — | — | EP | disclosed |
| EP-3124482-A1 | QUINOLINE DERIVATIVES AS SMO INHIBITORS | GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) | 2017-02-01 | — | — | EP | disclosed |