Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.40 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.34 |
| ▸ | PSEN2 | P49810 | 3/20 | 0.34 |
| ▸ | APH1B | Q8WW43 | 3/20 | 0.34 |
| ▸ | NCSTN | Q92542 | 3/20 | 0.34 |
| ▸ | APH1A | Q96BI3 | 3/20 | 0.34 |
| ▸ | PSENEN | Q9NZ42 | 3/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.31 |
| ▸ | IDH1 | O75874 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27438512 | 0.91 | EPHX1 (0.50) | EPHX1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL26397391 | 0.86 | EPHX1 (0.50) | EPHX1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL30489375 | 0.86 | EPHX1 (0.40) | EPHX1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL6137097 | 0.82 | EPHX1 (0.45) | EPHX1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL29256536 | 0.79 | EPHX1 (0.39) | EPHX1HSD11B1HSD11B2 | |
| SCHEMBL504027 | 0.79 | SLC1A2 (0.39) | MEN1KMT2A | |
| SCHEMBL504028 | 0.79 | SLC1A2 (0.39) | MEN1KMT2A | |
| SCHEMBL2277633 | 0.79 | SLC1A2 (0.39) | MEN1KMT2A | |
| SCHEMBL11597749 | 0.79 | SLC1A2 (0.39) | MEN1KMT2A | |
| SCHEMBL9539732 | 0.79 | IDH1 (0.34) | HSD11B1HSD11B2IDH1MEN1ALDH1A1 |
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-2203051-A1 | OCTAHYDROPENTALENE COMPOUNDS AS CHEMOKINE RECEPTOR ANTAGONISTS | Abbott Laboratories (US) | 2010-07-07 | — | — | EP | disclosed |
| WO-2009042193-A1 | OCTAHYDROPENTALENE COMPOUNDS AS CHEMOKINE RECEPTOR ANTAGONISTS | ABBOTT LABORATORIES (US) | 2009-04-02 | — | — | WO | disclosed |