Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 6/20 | 0.58 |
| ▸ | RAB9A | P51151 | 6/20 | 0.56 |
| ▸ | NPC1 | O15118 | 5/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL856085 | 0.86 | EPHX1 (0.59) | EPHX1RAB9ANPC1ALDH1A1NPSR1 | |
| SCHEMBL23752066 | 0.86 | EPHX1 (0.59) | EPHX1RAB9ANPC1ALDH1A1NPSR1 | |
| SCHEMBL12750400 | 0.85 | KCNQ3 (0.54) | RAB9ANPC1ALDH1A1MEN1KMT2A | |
| SCHEMBL17803422 | 0.82 | ALDH1A1 (0.45) | EPHX1RAB9ANPC1ALDH1A1MEN1 | |
| SCHEMBL30526779 | 0.80 | ALDH1A1 (0.64) | EPHX1RAB9ANPC1ALDH1A1NPSR1 | |
| SCHEMBL6118209 | 0.78 | EPHX1 (0.78) | EPHX1RAB9ANPC1ALDH1A1NPSR1 | |
| SCHEMBL31229223 | 0.78 | NPC1 (0.53) | EPHX1RAB9ANPC1ALDH1A1NPSR1 | |
| SCHEMBL19329269 | 0.78 | NPC1 (0.53) | EPHX1RAB9ANPC1ALDH1A1NPSR1 | |
| SCHEMBL5458132 | 0.78 | RAB9A (0.75) | EPHX1RAB9ANPC1ALDH1A1NPSR1 | |
| SCHEMBL11512341 | 0.76 | EPHX1 (0.80) | EPHX1RAB9ANPC1ALDH1A1NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010100144-A1 | FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE | MERCK SERONO S.A. (CH) | 2010-09-10 | — | — | WO | disclosed |
| WO-2010100144-A1 | FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE | MERCK SERONO S.A. (CH) | 2010-09-10 | — | — | WO | disclosed |