Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | CNR2 | P34972 | 2/20 | 0.43 |
| ▸ | CNR1 | P21554 | 2/20 | 0.41 |
| ▸ | PARP1 | P09874 | 2/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29675197 | 1.00 | SMYD3 (0.48) | SMYD3HPGDCNR2CNR1PARP1 | |
| SCHEMBL25605523 | 0.82 | HPGD (0.44) | SMYD3HPGDPARP1POLBUSP30 | |
| SCHEMBL23580207 | 0.81 | SMYD3 (0.45) | SMYD3HPGDCNR2CNR1TRPV1 | |
| SCHEMBL21593381 | 0.78 | CNR2 (0.48) | SMYD3CNR2POLBALDH1A1LMNA | |
| SCHEMBL30130945 | 0.78 | SIK1 (0.45) | SMYD3CNR2CNR1 | |
| SCHEMBL21593339 | 0.78 | SIK1 (0.45) | SMYD3CNR2CNR1 | |
| SCHEMBL16978524 | 0.78 | CFTR (0.40) | PARP1NPC1SMN1; SMN2LMNAKDM4E | |
| SCHEMBL20504270 | 0.76 | CCR1 (0.36) | BACE1 | |
| SCHEMBL21593324 | 0.76 | POLB (0.51) | SMYD3HPGDPOLBNPC1SMN1; SMN2 | |
| SCHEMBL2542380 | 0.74 | SMYD3 (0.48) | SMYD3HPGDCNR2CNR1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022149855-A1 | HETEROARYL-ETHYNYL DERIVATIVE COMPOUND AND USE THEREOF | 주식회사 비투에스바이오 | 2022-07-14 | — | — | WO | disclosed |