Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.50 |
| ▸ | PFKFB3 | Q16875 | 2/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 2/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23943229 | 0.85 | HSD17B14 (0.59) | HSD17B14PFKFB3ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL25459530 | 0.81 | HSD17B14 (0.44) | HSD17B14PFKFB3MAP4K4ALDH1A1CYP1A2 | |
| SCHEMBL23943218 | 0.81 | HSD17B14 (0.55) | HSD17B14PFKFB3CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL30510804 | 0.78 | FGFR1 (0.49) | HSD17B14ALDH1A1GAASMN1; SMN2LMNA | |
| SCHEMBL23925971 | 0.78 | FGFR1 (0.49) | HSD17B14ALDH1A1GAASMN1; SMN2LMNA | |
| SCHEMBL30510828 | 0.78 | HSD17B14 (0.41) | HSD17B14PFKFB3ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL23943404 | 0.78 | HSD17B14 (0.41) | HSD17B14PFKFB3ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL23943334 | 0.77 | HSD17B14 (0.50) | HSD17B14PFKFB3ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL23943401 | 0.77 | HSD17B14 (0.45) | HSD17B14PFKFB3ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL30510843 | 0.77 | KIT (0.44) | HSD17B14PFKFB3 |
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-2021211974-A1 | HSD17B13 INHIBITORS AND USES THEREOF | INIPHARM, INC. (US) | 2021-10-21 | — | — | WO | disclosed |