Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | PREP | P48147 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9555116 | 1.00 | HPGD (0.48) | HPGDHSD17B10CTSKEPHX1PREP | |
| SCHEMBL5171011 | 0.95 | HSD17B10 (0.49) | HPGDHSD17B10CTSKSMN1; SMN2NPC1 | |
| SCHEMBL2355780 | 0.95 | HSD17B10 (0.49) | HPGDHSD17B10CTSKSMN1; SMN2NPC1 | |
| SCHEMBL7855614 | 0.95 | HSD17B10 (0.49) | HPGDHSD17B10CTSKSMN1; SMN2NPC1 | |
| SCHEMBL9554546 | 0.88 | CTSK (0.42) | HPGDHSD17B10CTSKEPHX1PREP | |
| SCHEMBL82202 | 0.86 | DPP4 (0.51) | HPGDCTSKPREP | |
| SCHEMBL10082580 | 0.86 | HPGD (0.50) | HPGDHSD17B10CTSKEPHX1PREP | |
| SCHEMBL525478 | 0.86 | HPGD (0.50) | HPGDHSD17B10CTSKEPHX1PREP | |
| SCHEMBL19055875 | 0.86 | DPP4 (0.51) | HPGDCTSKPREP | |
| SCHEMBL15317053 | 0.86 | HPGD (0.50) | HPGDHSD17B10CTSKEPHX1PREP |
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-2002050056-A1 | BENZYLAMINE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2002-06-27 | — | — | WO | disclosed |