Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 2/20 | 0.34 |
| ▸ | MMP3 | P08254 | 2/20 | 0.34 |
| ▸ | MMP8 | P22894 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.33 |
| ▸ | CTSG | P08311 | 3/20 | 0.33 |
| ▸ | CTRB1 | P17538 | 3/20 | 0.33 |
| ▸ | CMA1 | P23946 | 3/20 | 0.33 |
| ▸ | GHSR | Q92847 | 3/20 | 0.31 |
| ▸ | ABL1 | P00519 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20514687 | 1.00 | MMP1 (0.34) | MMP1MMP3MMP8CYP3A4HTT | |
| SCHEMBL2790970 | 0.91 | SMN1; SMN2 (0.34) | CYP3A4HTTSMN1; SMN2PRSS1CTSG | |
| SCHEMBL17209666 | 0.91 | SMN1; SMN2 (0.34) | CYP3A4HTTSMN1; SMN2PRSS1CTSG | |
| SCHEMBL15434331 | 0.89 | ATM (0.42) | ALDH1A1TSHRPPARA | |
| SCHEMBL19138496 | 0.86 | CYP3A4 (0.41) | CYP3A4HTTSMN1; SMN2PRSS1CTSG | |
| SCHEMBL30954515 | 0.86 | CYP3A4 (0.36) | CYP3A4HTTSMN1; SMN2ABL1ALDH1A1 | |
| SCHEMBL17112327 | 0.85 | CYP3A4 (0.34) | CYP3A4HTTSMN1; SMN2PRSS1CTSG | |
| SCHEMBL28535602 | 0.85 | ATM (0.43) | PPARA | |
| SCHEMBL30096598 | 0.85 | ATM (0.43) | PPARA | |
| SCHEMBL20742851 | 0.84 | MTNR1A (0.37) | CYP3A4HTTSMN1; SMN2ALDH1A1 |
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-2632895-B1 | HIV PROTEASE INHIBITORS | MERCK CANADA INC (CA) | 2018-10-03 | — | — | EP | disclosed |