Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.64 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.64 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.64 |
| ▸ | RELA | Q04206 | 1/20 | 0.64 |
| ▸ | RAB9A | P51151 | 5/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 4/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | RORC | P51449 | 1/20 | 0.55 |
| ▸ | AHR | P35869 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | LCK | P06239 | 1/20 | 0.52 |
| ▸ | SNCA | P37840 | 1/20 | 0.51 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL30597547 | 0.82 | NPC1 (0.85) | NPC1ALDH1A1SMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL30597546 | 0.81 | ALDH1A1 (0.55) | NPC1ALDH1A1SMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL24648720 | 0.81 | NPC1 (0.61) | NPC1ALDH1A1SMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL30597527 | 0.79 | NPC1 (0.54) | NPC1ALDH1A1SMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL24071576 | 0.79 | RAB9A (0.85) | NPC1ALDH1A1SMN1; SMN2RAB9AKMT2A | |
| SCHEMBL27004441 | 0.77 | ALDH1A1 (0.62) | NPC1ALDH1A1SMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL30597528 | 0.77 | MAPT (0.73) | ALDH1A1SMN1; SMN2KMT2AMEN1MAPT | |
| SCHEMBL30597505 | 0.77 | MAPT (0.55) | NPC1ALDH1A1SMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL31419756 | 0.76 | NPC1 (0.58) | NPC1ALDH1A1SMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL10016392 | 0.75 | NPC1 (1.00) | NPC1ALDH1A1SMN1; SMN2NFKB1NFKB2 |
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-2023201014-A1 | BENZOTHIAZOLE-PHENYLSULFONYL-PIPERIDINE ANALOGS AS ACTIVATORS OF N-ACYLPHOSPHATIDYLETHANOLAMINE HYDROLYZING PHOSPHOLIPASE D | VANDERBILT UNIVERSITY (US) | 2023-10-19 | — | — | WO | disclosed |