Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 4/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 3/20 | 0.38 |
| ▸ | MMP9 | P14780 | 3/20 | 0.38 |
| ▸ | MMP13 | P45452 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | F2 | P00734 | 2/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.36 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.36 |
| ▸ | MMP3 | P08254 | 2/20 | 0.36 |
| ▸ | MMP7 | P09237 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10766741 | 0.82 | MMP2 (0.47) | MMP2CA12CA14CA2KMT2A | |
| SCHEMBL10764657 | 0.81 | CA2 (0.52) | CA2KMT2AF2 | |
| SCHEMBL3701827 | 0.80 | PSIP1 (0.50) | CA12CA14CA2MMP1MMP13 | |
| SCHEMBL13813079 | 0.78 | MMP2 (0.47) | MMP2CA12CA14PLCG1CA2 | |
| SCHEMBL12674211 | 0.78 | MMP2 (0.47) | MMP2CA12CA14PLCG1CA2 | |
| SCHEMBL10767883 | 0.78 | MMP13 (0.58) | MMP2CA2MMP1MMP9MMP13 | |
| SCHEMBL10767611 | 0.77 | CA1 (0.46) | MMP2CA2KMT2AMMP1MMP9 | |
| SCHEMBL17799125 | 0.77 | CA1 (0.47) | MMP2CA12CA14CA2KMT2A | |
| SCHEMBL152957 | 0.73 | MMP2 (0.53) | MMP2CA12CA14PLCG1CA2 | |
| SCHEMBL14537429 | 0.72 | MMP2 (0.44) | MMP2CA12CA14PLCG1CA2 |
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-0227077-A1 | Piperazine derivatives of theophylline and theobromine | LABORATOIRES SYNTEX S.A. (FR) | 1987-07-01 | — | — | EP | disclosed |