Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 3/20 | 0.48 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.48 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | NQO2 | P16083 | 3/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13473685 | 0.87 | APP (0.48) | HSD17B1HSD17B2RAB9AMEN1POLB | |
| SCHEMBL498650 | 0.81 | HSD17B1 (0.65) | HSD17B1HSD17B2CYP2E1CYP3A4CYP2A6 | |
| SCHEMBL7587868 | 0.78 | HSD17B1 (0.62) | HSD17B1HSD17B2CYP2E1CYP3A4CYP2A6 | |
| SCHEMBL2240182 | 0.78 | HSD17B1 (0.62) | HSD17B1HSD17B2CYP2E1CYP3A4CYP2A6 | |
| SCHEMBL7587610 | 0.78 | HSD17B1 (0.62) | HSD17B1HSD17B2CYP2E1CYP3A4CYP2A6 | |
| SCHEMBL2241368 | 0.78 | HSD17B1 (0.62) | HSD17B1HSD17B2CYP2E1CYP3A4CYP2A6 | |
| SCHEMBL2242666 | 0.78 | HSD17B1 (0.62) | HSD17B1HSD17B2CYP2E1CYP3A4CYP2A6 | |
| SCHEMBL7591649 | 0.78 | HSD17B1 (0.62) | HSD17B1HSD17B2CYP2E1CYP3A4CYP2A6 | |
| SCHEMBL14190035 | 0.78 | HSD17B1 (0.62) | HSD17B1HSD17B2CYP2E1CYP3A4CYP2A6 | |
| SCHEMBL12574402 | 0.78 | HSD17B1 (0.52) | HSD17B1HSD17B2CYP2E1CYP3A4CYP2A6 |
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-2016128103-A1 | ELECTRONIC DEVICE CONTAINING CYCLIC LACTAMS | MERCK PATENT GMBH (DE) | 2016-08-18 | — | — | WO | disclosed |