Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADA | P00813 | 10/20 | 0.40 |
| ▸ | MMP2 | P08253 | 2/20 | 0.38 |
| ▸ | MMP9 | P14780 | 2/20 | 0.38 |
| ▸ | MMP8 | P22894 | 2/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | TNKS | O95271 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.37 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.37 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.37 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7845268 | 0.90 | ADA (0.41) | ADAMMP2MMP9MMP8MMP13 | |
| SCHEMBL7845082 | 0.85 | ADA (0.38) | ADAMMP2MMP9MMP8MMP13 | |
| SCHEMBL7850303 | 0.77 | MMP2 (0.35) | ADAMMP2MMP9MMP8MMP13 | |
| SCHEMBL7836765 | 0.77 | ADA (0.71) | ADA | |
| SCHEMBL7847122 | 0.75 | ADA (0.50) | ADAALDH1A1HDAC3HDAC1HDAC6 | |
| SCHEMBL7848612 | 0.73 | ADA (0.60) | ADAALDH1A1HDAC3HDAC1HDAC6 | |
| SCHEMBL7837035 | 0.72 | ADA (0.59) | ADAHDAC3HDAC1HDAC6 | |
| SCHEMBL7846603 | 0.68 | ADA (0.54) | ADAHDAC3HDAC1HDAC6 | |
| SCHEMBL7850182 | 0.67 | ADA (0.54) | ADA | |
| SCHEMBL7850108 | 0.65 | ADA (0.39) | ADAALDH1A1MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1161429-A2 | HETEROCYCLIC COMPOUNDS AS ADENOSINE DEAMINASE INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-12-12 | — | — | EP | disclosed |
| WO-2000055155-A2 | HETEROCYCLIC COMPOUNDS AS ADENOSINE DEAMINASE INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-09-21 | — | — | WO | disclosed |