Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.35 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL878151 | 0.82 | CYP1A2 (0.40) | CYP1A2CYP2D6NR3C2GRIN2DGRIN1 | |
| SCHEMBL877145 | 0.72 | CYP2C9 (0.40) | CYP1A2PTGS2CYP2C19GAASMN1; SMN2 | |
| SCHEMBL3159723 | 0.69 | KIF11 (0.48) | KIF11CYP1A2CYP2D6MEN1KMT2A | |
| SCHEMBL28727454 | 0.68 | KIF11 (0.47) | KIF11CYP1A2CYP2D6MEN1KMT2A | |
| SCHEMBL8817727 | 0.68 | CYP1A2 (0.38) | KIF11CYP1A2CYP2D6NR3C2MEN1 | |
| SCHEMBL9077583 | 0.67 | CYP2D6 (0.47) | KIF11CYP1A2CYP2D6MEN1KMT2A | |
| SCHEMBL27942173 | 0.67 | ALDH1A1 (0.39) | CYP1A2CYP2D6NR3C2MEN1KMT2A | |
| SCHEMBL5995232 | 0.67 | MAPT (0.43) | KIF11CYP2D6NR3C2KMT2AKCNH2 | |
| SCHEMBL27582674 | 0.66 | KIF11 (0.48) | KIF11CYP1A2CYP2D6MEN1KMT2A | |
| SCHEMBL11035564 | 0.66 | CYP1A2 (0.50) | KIF11CYP1A2CYP2D6MEN1KMT2A |
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 |