Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.38 |
| ▸ | CFTR | P13569 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | G6PD | P11413 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | CASP6 | P55212 | 1/20 | 0.35 |
| ▸ | CXCR2 | P25025 | 5/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CCR6 | P51684 | 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 | |
|---|---|---|---|---|
| SCHEMBL1706450 | 0.85 | MMP2 (0.60) | MMP2ALDH1A1GAAMAPTSMN1; SMN2 | |
| SCHEMBL12260942 | 0.80 | MMP2 (0.50) | MMP2ALDH1A1GAAMAPTHSD17B10 | |
| SCHEMBL12261019 | 0.79 | MMP2 (0.53) | MMP2ALDH1A1GAAMAPTTP53 | |
| SCHEMBL16144436 | 0.79 | MMP2 (0.53) | MMP2ALDH1A1GAAMAPTTP53 | |
| SCHEMBL12260767 | 0.79 | MMP2 (0.53) | MMP2ALDH1A1GAAMAPTTP53 | |
| SCHEMBL720049 | 0.78 | MMP2 (0.72) | MMP2ALDH1A1GAAMAPTTP53 | |
| SCHEMBL1706516 | 0.77 | MMP2 (0.55) | MMP2ALDH1A1MAPTTP53TSHR | |
| SCHEMBL12260907 | 0.77 | MMP2 (0.50) | MMP2ALDH1A1GAAMAPTTP53 | |
| SCHEMBL12261033 | 0.77 | MMP2 (0.50) | MMP2ALDH1A1GAAMAPTTP53 | |
| SCHEMBL12310762 | 0.77 | MMP2 (0.54) | MMP2ALDH1A1GAAMAPTHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103958505-B | For treating dibasic 3,4-diaminourea-3-cyclobutane-1,2-dione compounds of chemokine mediated pathology | 高德美研究及发展公司 | 2016-08-24 | — | — | CN | disclosed |