Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 4/20 | 0.39 |
| ▸ | MMP1 | P03956 | 2/20 | 0.39 |
| ▸ | MMP2 | P08253 | 2/20 | 0.39 |
| ▸ | MMP3 | P08254 | 2/20 | 0.39 |
| ▸ | MMP7 | P09237 | 1/20 | 0.39 |
| ▸ | PYGL | P06737 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | C5AR1 | P21730 | 3/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 3/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10211896 | 1.00 | MMP13 (0.39) | MMP13MMP1MMP2MMP3MMP7 | |
| SCHEMBL10166901 | 0.88 | AAK1 (0.39) | MMP13MMP1MMP2MMP3MMP7 | |
| SCHEMBL13209970 | 0.88 | AAK1 (0.39) | MMP13MMP1MMP2MMP3MMP7 | |
| SCHEMBL13779845 | 0.88 | AAK1 (0.39) | MMP13MMP1MMP2MMP3MMP7 | |
| SCHEMBL22776843 | 0.83 | MMP13 (0.37) | MMP13MMP1MMP2MMP3MMP7 | |
| SCHEMBL754281 | 0.81 | CYP3A4 (0.46) | CYP2C9SMN1; SMN2ALDH1A1CYP2C19CYP3A4 | |
| SCHEMBL18526739 | 0.81 | CYP3A4 (0.46) | CYP2C9SMN1; SMN2ALDH1A1CYP2C19CYP3A4 | |
| SCHEMBL754136 | 0.80 | POLB (0.32) | PYGLCYP2C9SMN1; SMN2TSHRPOLB | |
| SCHEMBL18526789 | 0.80 | POLB (0.32) | PYGLCYP2C9SMN1; SMN2TSHRPOLB | |
| SCHEMBL903769 | 0.80 | AAK1 (0.38) | MMP1MMP2MMP3ALDH1A1MAPK1 |
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-2912031-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-05-31 | — | — | EP | disclosed |