Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 7/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 6/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | CASR | P41180 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4354309 | 0.82 | RAB9A (0.66) | RAB9AKMT2AMEN1NPC1SMN1; SMN2 | |
| SCHEMBL4353377 | 0.76 | KMT2A (0.54) | RAB9AKMT2AMEN1NPC1SMN1; SMN2 | |
| SCHEMBL4342235 | 0.74 | GRIK1 (0.51) | RAB9AKMT2AMEN1NPC1SMN1; SMN2 | |
| SCHEMBL4354599 | 0.74 | RAB9A (0.70) | RAB9AKMT2AMEN1NPC1SMN1; SMN2 | |
| SCHEMBL4345580 | 0.74 | SMN1; SMN2 (0.45) | KMT2AMEN1NPC1SMN1; SMN2EPHX1 | |
| SCHEMBL4342007 | 0.73 | MEN1 (0.54) | RAB9AKMT2AMEN1NPC1SMN1; SMN2 | |
| SCHEMBL20365336 | 0.72 | EPHX2 (0.52) | RAB9AKMT2AMEN1NPC1SMN1; SMN2 | |
| SCHEMBL4349988 | 0.71 | SMN1; SMN2 (0.61) | RAB9AKMT2AMEN1NPC1SMN1; SMN2 | |
| SCHEMBL4341664 | 0.71 | EPHX1 (0.49) | EPHX1ALDH1A1HTTEPHX2POLB | |
| SCHEMBL2751414 | 0.71 | RAB9A (0.78) | RAB9AKMT2AMEN1NPC1SMN1; SMN2 |
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 | disclosed |