Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | ACE | P12821 | 1/20 | 0.42 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
| ▸ | FCER2 | P06734 | 2/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4521922 | 0.88 | GPR142 (0.47) | KMT2ACYP3A4CYP2C19SCN9A | |
| SCHEMBL4523467 | 0.88 | GPR142 (0.47) | KMT2ACYP3A4CYP2C19SCN9A | |
| SCHEMBL27723699 | 0.88 | GPR142 (0.47) | KMT2ACYP3A4CYP2C19SCN9A | |
| SCHEMBL9169350 | 0.81 | ALDH1A1 (0.47) | ALDH1A1GAACA2CA12MMP2 | |
| SCHEMBL4528426 | 0.81 | SCN9A (0.46) | KMT2ASCN9A | |
| SCHEMBL27723710 | 0.81 | SCN9A (0.46) | KMT2ASCN9A | |
| SCHEMBL2722699 | 0.79 | ELANE (0.53) | FCER2EPHX1 | |
| SCHEMBL1053745 | 0.79 | ELANE (0.53) | FCER2EPHX1 | |
| SCHEMBL27746696 | 0.79 | ALDH1A1 (0.59) | ALDH1A1 | |
| SCHEMBL27509445 | 0.79 | ALDH1A1 (0.59) | ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2895482-A1 | HIV PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2015-07-22 | — | — | EP | claimed |
| WO-2014043019-A1 | HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-03-20 | — | — | WO | claimed |