Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.37 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL877682 | 0.82 | KIF11 (0.41) | CYP1A2CYP2D6NR3C2KCNN4KDM4E | |
| SCHEMBL27662931 | 0.80 | CYP1A2 (0.44) | CYP1A2CYP2D6KCNN4HDAC3HDAC4 | |
| SCHEMBL2364655 | 0.78 | CYP1A2 (0.42) | CYP1A2CYP2D6KCNN4HDAC3HDAC4 | |
| SCHEMBL877145 | 0.75 | CYP2C9 (0.40) | CYP1A2 | |
| SCHEMBL27942173 | 0.69 | ALDH1A1 (0.39) | CYP1A2CYP2D6NR3C2KCNN4KEAP1 | |
| SCHEMBL11035564 | 0.68 | CYP1A2 (0.50) | CYP1A2CYP2D6KCNN4KEAP1HDAC3 | |
| SCHEMBL10445349 | 0.67 | CYP2D6 (0.48) | CYP1A2CYP2D6KCNN4HDAC3HDAC4 | |
| SCHEMBL28544866 | 0.66 | POLB (0.41) | NR3C2HDAC3HDAC1HDAC7HDAC2 | |
| SCHEMBL5674843 | 0.66 | MAPT (0.52) | CYP1A2CYP2D6NR3C2KCNN4KEAP1 | |
| SCHEMBL16680278 | 0.65 | CYP1A2 (0.39) | CYP1A2CYP2D6KDM4EALDH1A1HPGD |
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 |