Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.35 |
| ▸ | GNAI3 | P08754 | 3/20 | 0.34 |
| ▸ | GNAO1 | P09471 | 3/20 | 0.34 |
| ▸ | GNAI1 | P63096 | 3/20 | 0.34 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL19703694 | 0.86 | NPC1 (0.62) | NPC1ATMGLARAB9AL3MBTL1 | |
| SCHEMBL19698112 | 0.83 | NPC1 (0.43) | NPC1ATMGLARAB9AL3MBTL1 | |
| SCHEMBL20034713 | 0.83 | NPC1 (0.43) | NPC1ATMGLARAB9AL3MBTL1 | |
| SCHEMBL18824020 | 0.81 | GLA (0.46) | NPC1ATMGLARAB9AL3MBTL1 | |
| SCHEMBL19860906 | 0.80 | KMT2A (0.50) | NPC1ATMRAB9AL3MBTL1ALDH1A1 | |
| SCHEMBL22777675 | 0.79 | SMN1; SMN2 (0.36) | GLALMNAHPGDKMT2ATSHR | |
| SCHEMBL34383 | 0.79 | SMN1; SMN2 (0.36) | GLALMNAHPGDKMT2ATSHR | |
| SCHEMBL19703782 | 0.78 | NPC1 (0.53) | NPC1RAB9AALDH1A1MEN1LMNA | |
| SCHEMBL29945244 | 0.77 | SMN1; SMN2 (0.36) | LMNAHPGDKMT2ATSHR | |
| SCHEMBL19698575 | 0.76 | NPC1 (0.39) | NPC1ATMGLARAB9AL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016071856-A1 | AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE | NOVARTIS AG (CH) | 2016-05-12 | — | — | WO | disclosed |