Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.45 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.45 |
| ▸ | JAK2 | O60674 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | MYC | P01106 | 1/20 | 0.42 |
| ▸ | CDC7 | O00311 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL3837773 | 0.88 | JAK2 (0.48) | PARP1NPC1RAB9ABCAT2KEAP1 | |
| SCHEMBL30471810 | 0.87 | BCAT2 (0.52) | PARP1BCAT2KEAP1NFE2L2MYC | |
| SCHEMBL2113823 | 0.83 | NPC1 (0.59) | PARP1NPC1RAB9ABCAT2KEAP1 | |
| SCHEMBL2468641 | 0.83 | ESR1 (0.51) | PARP1NPC1RAB9ACES2CES1 | |
| SCHEMBL3135445 | 0.82 | MYC (0.53) | PARP1BCAT2KEAP1NFE2L2MYC | |
| Hydrochloric Acid SCHEMBL27873130 | 0.82 | ESR1 (0.50) | PARP1NPC1RAB9ACES2CES1 | |
| SCHEMBL6389895 | 0.81 | KDM4E (0.57) | PARP1NPC1RAB9ABCAT2KEAP1 | |
| SCHEMBL27725563 | 0.80 | KEAP1 (0.58) | PARP1NPC1RAB9ABCAT2KEAP1 | |
| SCHEMBL5478290 | 0.80 | PARP1 (0.45) | PARP1NPC1RAB9ABCAT2KEAP1 | |
| SCHEMBL6307908 | 0.79 | BCAT2 (0.65) | PARP1NPC1RAB9ABCAT2KEAP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101790313-A | Compound (I) | SMITHKLINE BEECHAM CORP | 2010-07-28 | — | — | CN | disclosed |