Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAPK1 | P53355 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SLC29A1 | Q99808 | 2/20 | 0.35 |
| ▸ | MAP4K1 | Q92918 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ATR | Q13535 | 1/20 | 0.34 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.31 |
| ▸ | GALR3 | O60755 | 1/20 | 0.31 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL28578067 | 0.87 | NPC1 (0.40) | NPC1RAB9ASMN1; SMN2SLC29A1MAP4K1 | |
| SCHEMBL21685694 | 0.86 | DAPK1 (0.44) | DAPK1NPC1RAB9ASMN1; SMN2SLC29A1 | |
| SCHEMBL21685270 | 0.84 | NPC1 (0.46) | DAPK1NPC1RAB9ASMN1; SMN2SLC29A1 | |
| SCHEMBL28593390 | 0.82 | SMN1; SMN2 (0.42) | DAPK1NPC1RAB9ASMN1; SMN2SLC29A1 | |
| SCHEMBL21685593 | 0.81 | NPC1 (0.42) | DAPK1NPC1RAB9ASMN1; SMN2SLC29A1 | |
| SCHEMBL28593391 | 0.76 | NPC1 (0.42) | DAPK1NPC1RAB9ASMN1; SMN2SLC29A1 | |
| SCHEMBL21684878 | 0.74 | NPC1 (0.41) | DAPK1NPC1RAB9ASMN1; SMN2SLC29A1 | |
| SCHEMBL21685668 | 0.73 | MAP4K1 (0.42) | DAPK1NPC1RAB9ASMN1; SMN2SLC29A1 | |
| SCHEMBL21685038 | 0.69 | NPC1 (0.41) | NPC1RAB9ASMN1; SMN2MAP4K1TSHR | |
| SCHEMBL21685477 | 0.69 | NPC1 (0.46) | NPC1RAB9ASMN1; SMN2SLC29A1MAP4K1 |
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-112789040-A | Transglutaminase 2(TG2) inhibitors | 思达利医药公司 | 2021-05-11 | — | — | CN | disclosed |