Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 2/20 | 0.54 |
| ▸ | CTSL | P07711 | 1/20 | 0.53 |
| ▸ | CTSS | P25774 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | TSHR | P16473 | 4/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.53 |
| ▸ | CASP1 | P29466 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6958944 | 1.00 | ATM (0.54) | ATMCTSLCTSSCYP3A4CYP2C9 | |
| SCHEMBL5700948 | 0.91 | F2 (0.49) | ATMCTSLCTSSCYP3A4CYP2C9 | |
| SCHEMBL5700951 | 0.91 | F2 (0.49) | ATMCTSLCTSSCYP3A4CYP2C9 | |
| SCHEMBL6135483 | 0.89 | CASP1 (0.54) | ATMCTSLCTSSCYP3A4CYP2C9 | |
| SCHEMBL6650427 | 0.88 | PPARG (0.47) | ATMCYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL7285800 | 0.87 | ATM (0.55) | ATMCTSLCTSSCYP3A4CYP2C9 | |
| SCHEMBL6156740 | 0.87 | CASP1 (0.60) | ATMCTSLCTSSALDH1A1CYP1A2 | |
| SCHEMBL6955527 | 0.87 | CASP1 (0.60) | ATMCTSLCTSSALDH1A1CYP1A2 | |
| SCHEMBL6156731 | 0.87 | CASP1 (0.60) | ATMCTSLCTSSALDH1A1CYP1A2 | |
| SCHEMBL4635039 | 0.87 | CTSK (0.49) | ATMCTSLCTSS |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014173375-A1 | A PROCESS FOR THE SYNTHESIS OF MARAVIROC | ZENTIVA, K.S. (CZ) | 2014-10-30 | — | — | WO | disclosed |