Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | GMNN | O75496 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | MMP8 | P22894 | 1/20 | 0.34 |
| ▸ | CCR1 | P32246 | 1/20 | 0.34 |
| ▸ | THPO | P40225 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL31124582 | 0.78 | GRM5 (0.37) | PARP1CYP2C19TSHRLMNATP53 | |
| SCHEMBL7416957 | 0.73 | CA12 (0.48) | CYP2C19TSHRMAPTKDM4ECYP3A4 | |
| SCHEMBL2614748 | 0.70 | BRD4 (0.50) | PARP1CYP2C19TSHRLMNATP53 | |
| SCHEMBL29712289 | 0.70 | BRD4 (0.50) | PARP1CYP2C19TSHRLMNATP53 | |
| SCHEMBL27254155 | 0.70 | PARP1 (0.42) | PARP1CYP2C19TSHRLMNATP53 | |
| SCHEMBL9577060 | 0.70 | PARP1 (0.46) | PARP1CYP2C19TSHRLMNATP53 | |
| SCHEMBL29311510 | 0.70 | PARP1 (0.42) | PARP1CYP2C19TSHRLMNATP53 | |
| SCHEMBL3515138 | 0.70 | DAO (0.47) | PARP1CYP2C19TSHRLMNATP53 | |
| SCHEMBL25723262 | 0.70 | CYP2C19 (0.42) | PARP1CYP2C19TSHRLMNATP53 | |
| SCHEMBL30825920 | 0.69 | DRD2 (0.37) | CYP2C19TSHRLMNAMAPTSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0302303-A2 | Bicyclic compounds, their use as pharmaceuticals, their preparation, and intermediates useful in their preparation | SCHERING CORPORATION (US) | 1989-02-08 | — | — | EP | disclosed |