Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CCKBR | P32239 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | CETP | P11597 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29250473 | 0.98 | SMN1; SMN2 (0.47) | SMN1; SMN2NPC1RAB9ALMNAHDAC1 | |
| SCHEMBL29250485 | 0.92 | NPC1 (0.42) | SMN1; SMN2NPC1RAB9ALMNAHDAC1 | |
| SCHEMBL29250646 | 0.84 | HDAC1 (0.44) | SMN1; SMN2NPC1RAB9AHDAC1HDAC3 | |
| SCHEMBL29250521 | 0.82 | DRD4 (0.46) | NPC1HDAC1KDM4EHDAC8CES1 | |
| SCHEMBL29250487 | 0.82 | HDAC1 (0.40) | SMN1; SMN2NPC1RAB9AHDAC1HDAC3 | |
| SCHEMBL29250858 | 0.82 | SMN1; SMN2 (0.41) | SMN1; SMN2NPC1RAB9AHDAC1HDAC3 | |
| SCHEMBL28039046 | 0.80 | SMN1; SMN2 (0.56) | SMN1; SMN2NPC1RAB9ALMNAHDAC1 | |
| SCHEMBL28039399 | 0.79 | SMN1; SMN2 (0.55) | SMN1; SMN2NPC1RAB9ALMNAHDAC1 | |
| SCHEMBL28039364 | 0.79 | SMN1; SMN2 (0.55) | SMN1; SMN2NPC1RAB9ALMNAHDAC1 | |
| SCHEMBL29250480 | 0.79 | KCNA3 (0.39) | SMN1; SMN2HDAC1HDAC3HDAC2ALDH1A1 |
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-118047657-A | Gem difluoro olefin compound and preparation method thereof | 南京信息工程大学 | 2024-05-17 | — | — | CN | disclosed |