Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.33 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | TNF | P01375 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23905552 | 0.90 | NPC1 (0.38) | NPC1RAB9AHSP90AA1ALDH1A1EPHX2 | |
| SCHEMBL21262149 | 0.86 | ALDH1A1 (0.42) | NPC1RAB9AALDH1A1KDM4EPIK3CA | |
| SCHEMBL20833630 | 0.83 | NPC1 (0.43) | NPC1RAB9AHSP90AA1ALDH1A1EPHX2 | |
| SCHEMBL20833809 | 0.82 | CYP2C9 (0.42) | NPC1RAB9AHSP90AA1ALDH1A1EPHX2 | |
| SCHEMBL23905542 | 0.81 | ACACB (0.39) | NPC1RAB9AHSP90AA1ALDH1A1EPHX2 | |
| SCHEMBL23905898 | 0.81 | RAB9A (0.38) | NPC1RAB9AHSP90AA1ALDH1A1EPHX2 | |
| SCHEMBL23905762 | 0.79 | HSD17B10 (0.32) | HSD17B10 | |
| SCHEMBL21262000 | 0.78 | LMNA (0.48) | NPC1RAB9AHSP90AA1ALDH1A1KDM4E | |
| SCHEMBL20094483 | 0.74 | ALDH1A1 (0.43) | NPC1RAB9AALDH1A1KDM4EPIK3CA | |
| SCHEMBL20817424 | 0.73 | PDE4D (0.43) | NPC1RAB9AHSP90AA1ALDH1A1SMN1; 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 |
|---|---|---|---|---|---|---|---|
| WO-2021198981-A1 | ANTIVIRAL COMPOUNDS AND USES THEREOF | Janssen Biopharma, Inc. (US) | 2021-10-07 | — | — | WO | disclosed |