Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2364654 | 0.78 | CYP2C19 (0.40) | CYP2C19HIF1AALDH1A1ESR1CYP3A4 | |
| SCHEMBL877681 | 0.78 | CYP2C19 (0.37) | CYP2C19HIF1AALDH1A1ESR1CYP3A4 | |
| SCHEMBL27621428 | 0.71 | CYP1A2 (0.48) | CYP2C19HIF1AALDH1A1ESR1CYP3A4 | |
| SCHEMBL877144 | 0.70 | MMP12 (0.38) | HIF1AALDH1A1ESR1CYP3A4ESR2 | |
| SCHEMBL28021844 | 0.70 | CYP1A2 (0.47) | CYP2C19HIF1AALDH1A1ESR1CYP3A4 | |
| SCHEMBL27679367 | 0.68 | CYP2C19 (0.50) | CYP2C19HIF1AALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL27942173 | 0.68 | ALDH1A1 (0.39) | CYP2C19HIF1AALDH1A1ESR1CYP1A2 | |
| SCHEMBL27623245 | 0.68 | HDAC3 (0.40) | CYP2C19HIF1ACYP1A2CYP2D6MAPK1 | |
| SCHEMBL1682512 | 0.68 | HIF1A (0.53) | CYP2C19HIF1AALDH1A1ESR1CYP3A4 | |
| SCHEMBL75391 | 0.68 | ALDH1A1 (0.72) | CYP2C19HIF1AALDH1A1ESR1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2619179-A1 | MATRIX METALLOPROTEINASE INHIBITORS | Ranbaxy Laboratories Limited (IN) | 2013-07-31 | — | — | EP | claimed |
| WO-2012038944-A1 | MATRIX METALLOPROTEINASE INHIBITORS | RANBAXY LABORATORIES LIMITED (IN) | 2012-03-29 | — | — | WO | claimed |