Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.36 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CCR2 | P41597 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | METAP1 | P53582 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL8266878 | 0.81 | GRM2 (0.39) | HPGDSIGMAR1EPHX1CYP1A2CYP2D6 | |
| SCHEMBL27620522 | 0.80 | GGT1 (0.46) | HPGDSIGMAR1EPHX1SMN1; SMN2HSD17B10 | |
| SCHEMBL7519834 | 0.79 | ALDH1A1 (0.40) | HPGDSIGMAR1EPHX1SMN1; SMN2HSD17B10 | |
| SCHEMBL7379625 | 0.79 | METAP1 (0.39) | HPGDSIGMAR1EPHX1S1PR4S1PR1 | |
| SCHEMBL27620442 | 0.78 | GGT1 (0.47) | HPGDEPHX1SMN1; SMN2HSD17B10CYP1A2 | |
| SCHEMBL17568841 | 0.78 | HPGD (0.38) | HPGDSIGMAR1EPHX1SMN1; SMN2HSD17B10 | |
| SCHEMBL27620501 | 0.74 | GGT1 (0.47) | HPGDSMN1; SMN2HSD17B10GAAMEN1 | |
| SCHEMBL13722695 | 0.73 | GRM2 (0.33) | HPGDSIGMAR1EPHX1 | |
| SCHEMBL12593797 | 0.73 | GRM2 (0.33) | HPGDSIGMAR1EPHX1 | |
| SCHEMBL17568790 | 0.73 | GRM2 (0.33) | HPGDSIGMAR1EPHX1ALDH1A1 |
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-1699455-B1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2013-05-08 | — | — | EP | disclosed |