Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.50 |
| ▸ | PARP1 | P09874 | 3/20 | 0.49 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.40 |
| ▸ | GABRP | O00591 | 1/20 | 0.40 |
| ▸ | GABRD | O14764 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14970200 | 0.84 | HDAC1 (0.51) | PARP1HSD17B10HDAC1HDAC6GABRP | |
| SCHEMBL14968197 | 0.79 | KDM4C (0.57) | KDM4CPARP1CHEK1HSD17B10ALDH1A1 | |
| SCHEMBL14979958 | 0.79 | PARP1 (0.43) | KDM4CPARP1HSD17B10ACHEGRIN2D | |
| SCHEMBL16106862 | 0.75 | LMNA (0.45) | PARP1HSD17B10HDAC1HDAC6ALDH1A1 | |
| SCHEMBL16107102 | 0.75 | CTSV (0.44) | HSD17B10ALDH1A1USP2TSHRCTSV | |
| SCHEMBL14979997 | 0.72 | CNR1 (0.50) | HSD17B10HDAC1HDAC6ALDH1A1CTSV | |
| SCHEMBL14969193 | 0.72 | TMEM97 (0.44) | HSD17B10HDAC1HDAC6CTSVCTSL | |
| SCHEMBL14969243 | 0.72 | KIF11 (0.44) | HSD17B10HDAC1HDAC6ACHEALDH1A1 | |
| SCHEMBL14969170 | 0.71 | ALDH1A1 (0.43) | HSD17B10HDAC1HDAC6ALDH1A1USP2 | |
| SCHEMBL16107056 | 0.69 | ALDH1A1 (0.50) | HSD17B10ALDH1A1USP2TSHRCTSV |
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-2780026-B1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2019-10-23 | — | — | EP | disclosed |