Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.41 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4342371 | 0.86 | NPC1 (0.44) | NPC1RAB9AEPHX1EPHX2MEN1 | |
| SCHEMBL4347670 | 0.85 | NPC1 (0.43) | NPC1RAB9AEPHX1MEN1KMT2A | |
| SCHEMBL4350022 | 0.81 | PKM (0.44) | NPC1RAB9AEPHX1EPHX2MEN1 | |
| SCHEMBL4343408 | 0.81 | EPHX1 (0.47) | NPC1RAB9AEPHX1EPHX2MEN1 | |
| SCHEMBL4341885 | 0.78 | SMN1; SMN2 (0.39) | NPC1RAB9AEPHX1EPHX2MEN1 | |
| SCHEMBL4359843 | 0.77 | NPC1 (0.42) | NPC1RAB9AEPHX1MEN1KMT2A | |
| SCHEMBL4349769 | 0.76 | MEN1 (0.43) | NPC1RAB9AEPHX1MEN1KMT2A | |
| SCHEMBL4342279 | 0.76 | EPHX1 (0.44) | NPC1RAB9AEPHX1EPHX2MEN1 | |
| SCHEMBL4353771 | 0.76 | NPC1 (0.42) | NPC1RAB9AEPHX1EPHX2MEN1 | |
| SCHEMBL4347426 | 0.73 | EPHX1 (0.67) | NPC1RAB9AEPHX1EPHX2MEN1 |
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-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |