Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | TGM2 | P21980 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 2/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | HPGDS | O60760 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | FDPS | P14324 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL31028374 | 0.87 | SMYD3 (0.42) | SMYD3NAMPTTGM2LMNAKMT2A | |
| SCHEMBL28596375 | 0.79 | P2RX7 (0.41) | KMT2ACNR1CNR2HPGDSCA12 | |
| SCHEMBL28598466 | 0.77 | TGM2 (0.35) | TGM2HPGDSCA12CA1CA9 | |
| SCHEMBL28584273 | 0.75 | GRM5 (0.36) | HPGDSCA12CA1CA9 | |
| SCHEMBL8338299 | 0.72 | SMYD3 (0.47) | SMYD3CNR1CNR2HPGDS | |
| SCHEMBL28586865 | 0.71 | ACACB (0.38) | HPGDSCA12CA1CA9 | |
| SCHEMBL106846 | 0.69 | NAMPT (0.53) | SMYD3NAMPTLMNAKMT2AALDH1A1 | |
| SCHEMBL2363843 | 0.67 | SMYD3 (0.49) | SMYD3NAMPTLMNAKMT2AALDH1A1 | |
| SCHEMBL28593255 | 0.64 | NOD1 (0.34) | — | |
| SCHEMBL10099637 | 0.64 | NAMPT (0.54) | SMYD3NAMPTLMNAKMT2AALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112789040-A | Transglutaminase 2(TG2) inhibitors | 思达利医药公司 | 2021-05-11 | — | — | CN | claimed |
| CN-112789040-A | Transglutaminase 2(TG2) inhibitors | 思达利医药公司 | 2021-05-11 | — | — | CN | disclosed |