Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | PNMT | P11086 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | PDCD1LG2 | Q9BQ51 | 3/20 | 0.42 |
| ▸ | CD274 | Q9NZQ7 | 3/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL12061499 | 0.86 | CYP2D6 (0.47) | CYP2D6CYP1A2CYP3A4NFKB1PNMT | |
| SCHEMBL19398867 | 0.86 | CYP2D6 (0.47) | CYP2D6CYP1A2CYP3A4NFKB1PNMT | |
| SCHEMBL6380570 | 0.84 | AOC3 (0.51) | CYP2D6ALDH1A1AOC3ADRA2AADRA1A | |
| SCHEMBL12263333 | 0.84 | CA1 (0.42) | AOC3HTTMAPK1 | |
| SCHEMBL12075568 | 0.81 | CYP2D6 (0.43) | CYP2D6CYP1A2CYP3A4NFKB1PNMT | |
| SCHEMBL27661644 | 0.81 | P2RX7 (0.40) | AOC3HTTMAPK1 | |
| SCHEMBL19478624 | 0.78 | ALDH1A1 (0.43) | LMNAALDH1A1AOC3TP53 | |
| SCHEMBL15105529 | 0.77 | ACHE (0.44) | ALDH1A1AOC3HTTKMT2A | |
| SCHEMBL23487520 | 0.77 | CYP2D6 (0.60) | CYP2D6CYP1A2CYP3A4NFKB1PNMT | |
| SCHEMBL1520565 | 0.77 | ADRA1A (0.54) | CYP1A2NFKB1LMNAALDH1A1AOC3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2763539-A1 | ANTIBACTERIAL COMPOUNDS | Glaxo Group Limited (GB) | 2014-08-13 | — | — | EP | disclosed |
| WO-2013052568-A1 | ANTIBACTERIAL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2013-04-11 | — | — | WO | disclosed |
| EP-0476156-B1 | SOLID ORAL PREPARATION CONTAINING CATECHOL COMPOUND | EISAI CO LTD (JP) | 1996-08-07 | — | — | EP | disclosed |
| US-5292521-A | And an organic acid or salt | EISAI CO., LTD. (JP) | 1994-03-08 | — | — | US | disclosed |
| EP-0476156-A1 | SOLID ORAL PREPARATION CONTAINING CATECHOL COMPOUND | Eisai Co., Ltd. (JP) | 1992-03-25 | — | — | EP | disclosed |