Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ICMT | O60725 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29250470 | 0.86 | GABBR2 (0.45) | NPC1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL29250512 | 0.86 | GABBR2 (0.45) | NPC1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL30848626 | 0.80 | PTPN1 (0.51) | CYP1A2CYP2D6CYP2C19RAB9ANPC1 | |
| SCHEMBL29250501 | 0.72 | KDM4E (0.51) | RAB9ANPC1KMT2A | |
| SCHEMBL29078315 | 0.69 | CES2 (0.50) | CYP1A2CYP2D6CYP2C19RAB9ANPC1 | |
| SCHEMBL29251277 | 0.67 | CES2 (0.43) | RAB9ANPC1KMT2AHDAC3HDAC1 | |
| SCHEMBL29251281 | 0.66 | GPR52 (0.48) | CYP1A2CYP2D6CYP2C19NPC1CES2 | |
| SCHEMBL30917883 | 0.65 | SMN1; SMN2 (0.48) | RAB9ANPC1HDAC3HDAC1HDAC2 | |
| SCHEMBL29171624 | 0.65 | PTPN1 (0.54) | RAB9ANPC1CES2CES1ACHE | |
| SCHEMBL14322691 | 0.64 | CES2 (0.56) | CYP1A2RAB9ANPC1KMT2ACES2 |
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 |