Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | RORC | P51449 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP7 | P09237 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | MMP14 | P50281 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.39 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.39 |
| ▸ | PER2 | O15055 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8773812 | 0.74 | SMN1; SMN2 (0.44) | KCNA5SMN1; SMN2 | |
| SCHEMBL8502371 | 0.70 | OPRK1 (0.48) | ALDH1A1POLBOPRM1OPRD1OPRK1 | |
| SCHEMBL7398172 | 0.69 | HPGD (0.54) | ALDH1A1CYP2C9CYP2C19LMNAPKM | |
| SCHEMBL10771432 | 0.69 | ALDH1A1 (0.54) | ALDH1A1CYP1A2CYP2C9CYP2C19POLB | |
| SCHEMBL10076985 | 0.69 | TSHR (0.51) | ALDH1A1LMNAPKMMMP2MMP9 | |
| SCHEMBL26103333 | 0.69 | ALDH1A1 (0.51) | ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7547811 | 0.68 | LMNA (0.45) | ALDH1A1LMNAPKMMMP2OPRM1 | |
| SCHEMBL14131205 | 0.68 | HDAC8 (0.67) | ALDH1A1CYP1A2CYP2C9CYP2C19HDAC8 | |
| SCHEMBL7411356 | 0.68 | SMN1; SMN2 (0.44) | KCNA5SMN1; SMN2 | |
| SCHEMBL8535085 | 0.68 | TSHR (0.40) | ALDH1A1LMNAPKMMMP2MMP9 |
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-5776971-A | Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors | G.D. SEARLE & CO. (US) | 1998-07-07 | — | — | US | disclosed |
| US-5756533-A | ENZYME INHIBITORS FOR TREATMENT OF AIDS | G.D. SEARLE & CO. (US) | 1998-05-26 | — | — | US | disclosed |