Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | SMYD3 | Q9H7B4 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | NNMT | P40261 | 1/20 | 0.34 |
| ▸ | SIRT6 | Q8N6T7 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MC4R | P32245 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | MC3R | P41968 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | SCD | O00767 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.32 |
| ▸ | SELE | P16581 | 1/20 | 0.32 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30364115 | 1.00 | PARP1 (0.42) | PARP1SMYD3LMNANNMTSIRT6 | |
| Trifluoroacetic Acid SCHEMBL29779536 | 0.89 | PARP1 (0.36) | PARP1SMYD3KMT2A | |
| SCHEMBL11662104 | 0.85 | HCAR2 (0.43) | PARP1SMYD3LMNATSHRMEN1 | |
| SCHEMBL17591930 | 0.80 | MAPK1 (0.40) | SMYD3LCKGABRPGABRDGABRA1 | |
| SCHEMBL3415008 | 0.75 | PARP1 (0.38) | PARP1LMNANNMTSIRT6ADORA3 | |
| SCHEMBL10174710 | 0.74 | NPC1 (0.42) | SMYD3TSHRKMT2AGAAMAPT | |
| SCHEMBL31226700 | 0.72 | LMNA (0.39) | LMNANNMTSIRT6ADORA3TSHR | |
| SCHEMBL164974 | 0.72 | LMNA (0.39) | LMNANNMTSIRT6ADORA3TSHR | |
| SCHEMBL23015831 | 0.71 | PARP1 (0.35) | PARP1SMYD3 | |
| SCHEMBL2677778 | 0.70 | SMYD3 (0.54) | PARP1SMYD3ADORA3TSHRMC4R |
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-107072205-A | SMYD inhibitors | EPIZYME股份有限公司 | 2017-08-18 | — | — | CN | disclosed |