Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM4 | Q14833 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | BCL2 | P10415 | 1/20 | 0.35 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4353771 | 0.85 | NPC1 (0.42) | GRM4EPHX1EPHX2NPC1RAB9A | |
| SCHEMBL4351536 | 0.80 | SMN1; SMN2 (0.41) | GRM4EPHX1EPHX2NPC1RAB9A | |
| SCHEMBL4343408 | 0.78 | EPHX1 (0.47) | EPHX1EPHX2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4342426 | 0.76 | NPC1 (0.40) | EPHX1EPHX2NPC1RAB9ABCL2 | |
| SCHEMBL4342371 | 0.74 | NPC1 (0.44) | GRM4EPHX1EPHX2NPC1RAB9A | |
| SCHEMBL4342279 | 0.74 | EPHX1 (0.44) | EPHX1EPHX2NPC1RAB9AALDH1A1 | |
| SCHEMBL4347205 | 0.73 | MEN1 (0.43) | EPHX1NPC1RAB9ABCL2BCL2L1 | |
| SCHEMBL4345580 | 0.72 | SMN1; SMN2 (0.45) | GRM4EPHX1EPHX2NPC1BCL2 | |
| SCHEMBL4345514 | 0.72 | MTOR (0.38) | SMN1; SMN2ALDH1A1GAAMEN1KMT2A | |
| SCHEMBL4347008 | 0.71 | NPC1 (0.40) | EPHX1EPHX2NPC1RAB9ABCL2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | claimed |