Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.60 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11752317 | 0.98 | HIF1A (0.58) | CYP2C19HIF1AHDAC3HDAC4HDAC1 | |
| SCHEMBL3279773 | 0.91 | CYP2C19 (0.55) | CYP2C19HIF1AHDAC3HDAC4HDAC1 | |
| SCHEMBL21631941 | 0.90 | CYP2C19 (0.53) | CYP2C19HIF1AHDAC3HDAC4HDAC1 | |
| SCHEMBL3280257 | 0.86 | CYP2C19 (0.53) | CYP2C19HIF1AHDAC3HDAC4HDAC1 | |
| SCHEMBL3286804 | 0.85 | CYP2C19 (0.49) | CYP2C19HIF1AHDAC3HDAC4HDAC1 | |
| SCHEMBL10411314 | 0.85 | ESR1 (0.64) | CYP2C19HIF1ASLC6A3ALDH1A1ESR1 | |
| SCHEMBL28393601 | 0.85 | ALDH1A1 (0.58) | CYP2C19HIF1AHDAC3HDAC4HDAC1 | |
| SCHEMBL5753278 | 0.85 | FFAR4 (0.50) | CYP2C19HIF1AHDAC3HDAC4HDAC1 | |
| SCHEMBL3278666 | 0.84 | CYP2C19 (0.51) | CYP2C19HIF1AHDAC3HDAC4HDAC1 | |
| SCHEMBL6180011 | 0.84 | CYP2C19 (0.51) | CYP2C19HIF1AHDAC3HDAC4HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4025493-A | PLASTICIZERS FOR POLYVINYL CHLORIDE, TEXTILE FIBERS | PHILLIPS PETROLEUM COMPANY (US) | 1977-05-24 | — | — | US | claimed |
| US-4025493-A | PLASTICIZERS FOR POLYVINYL CHLORIDE, TEXTILE FIBERS | PHILLIPS PETROLEUM COMPANY (US) | 1977-05-24 | — | — | US | disclosed |