Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
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 | 0.80 | GRM2 (0.39) | HPGDEPHX1SIGMAR1MMP1MMP9 | |
| SCHEMBL17715697 | 0.80 | SIGMAR1 (0.36) | HPGDSIGMAR1MEN1KMT2ACYP1A2 | |
| SCHEMBL17568764 | 0.79 | CA12 (0.43) | HPGDEPHX1SIGMAR1KMT2A | |
| SCHEMBL14923381 | 0.78 | HPGD (0.39) | HPGDEPHX1SIGMAR1SMN1; SMN2HSD17B10 | |
| SCHEMBL14923298 | 0.70 | GRM2 (0.39) | HPGDEPHX1MMP1MMP9MMP13 | |
| SCHEMBL10305491 | 0.70 | GRM2 (0.39) | HPGDEPHX1SIGMAR1MMP1MMP9 | |
| SCHEMBL22710444 | 0.69 | HPGD (0.40) | HPGDEPHX1SIGMAR1SMN1; SMN2HSD17B10 | |
| SCHEMBL5245833 | 0.67 | HPGD (0.63) | HPGDSMN1; SMN2HSD17B10MEN1MAPT | |
| SCHEMBL8393928 | 0.67 | HPGD (0.63) | HPGDSMN1; SMN2HSD17B10MEN1MAPT | |
| SCHEMBL528267 | 0.67 | HPGD (0.40) | HPGDEPHX1SMN1; SMN2HSD17B10CYP1A2 |
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-2153832-B1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2016-03-09 | — | — | EP | disclosed |