Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.43 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.40 |
| ▸ | CYP4A11 | Q02928 | 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 | |
|---|---|---|---|---|
| SCHEMBL7111901 | 1.00 | HDAC3 (0.43) | HDAC3MAPK1ADRA1AHDAC4SLC6A3 | |
| Tert-Butylamine SCHEMBL7657275 | 0.94 | HDAC3 (0.39) | HDAC3MAPK1ADRA1AHDAC4SLC6A3 | |
| SCHEMBL7107398 | 0.93 | CYP4F2 (0.41) | AKR1B10AKR1B1CYP4F2CYP4A11EPOR | |
| SCHEMBL7653702 | 0.93 | CYP4F2 (0.41) | AKR1B10AKR1B1CYP4F2CYP4A11EPOR | |
| Tert-Butylamine SCHEMBL7657269 | 0.87 | CYP4F2 (0.39) | CYP4F2CYP4A11EPORFFAR1MAOB | |
| Tert-Butylamine SCHEMBL7657274 | 0.87 | CYP4F2 (0.39) | CYP4F2CYP4A11EPORFFAR1MAOB | |
| SCHEMBL7657096 | 0.83 | PPARA (0.50) | EPORFFAR1MAOB | |
| SCHEMBL7111045 | 0.83 | PPARA (0.50) | EPORFFAR1MAOB | |
| SCHEMBL7107759 | 0.81 | MMP1 (0.47) | AKR1B10AKR1B1EPORMAPTMAOB | |
| SCHEMBL7109965 | 0.80 | FFAR1 (0.45) | FFAR1S1PR1S1PR3 |
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 |
|---|---|---|---|---|---|---|---|
| US-6335459-B1 | PROSTAGLANDIN I2 RECEPTOR MODULATORS; TREATING TISSUE NECROSIS, PREMATURE UTERINE CONTRACTION, GASTRIC ULCERATION, SEXUAL DYSFUNCTION, MENSTRUAL PAIN AND IMPROPER WOUND HEALING, IMMUNOREGULATION, PLATELET AGGREGATION OR NEUTROPHIL FUNCTION | SYNTEX (U.S.A.) LLC | 2002-01-01 | — | — | US | disclosed |