Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.59 |
| ▸ | RAB9A | P51151 | 5/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.59 |
| ▸ | HPGD | P15428 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | NAMPT | P43490 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.49 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL123652 | 0.84 | NPC1 (0.79) | NPC1RAB9ASMN1; SMN2HPGDCYP1A2 | |
| SCHEMBL126657 | 0.82 | NPC1 (0.82) | NPC1RAB9ASMN1; SMN2HPGDCYP1A2 | |
| SCHEMBL28928584 | 0.82 | NPC1 (0.82) | NPC1RAB9ASMN1; SMN2HPGDCYP1A2 | |
| SCHEMBL520877 | 0.82 | NPC1 (0.82) | NPC1RAB9ASMN1; SMN2HPGDCYP1A2 | |
| SCHEMBL15535834 | 0.81 | RAB9A (0.62) | NPC1RAB9ASMN1; SMN2HPGDLMNA | |
| SCHEMBL1727230 | 0.80 | NPC1 (0.68) | NPC1RAB9ASMN1; SMN2HPGDCYP1A2 | |
| SCHEMBL517452 | 0.79 | NPC1 (0.73) | NPC1RAB9ASMN1; SMN2HPGDCYP1A2 | |
| SCHEMBL23651430 | 0.79 | NPC1 (0.66) | NPC1RAB9ASMN1; SMN2HPGDCYP1A2 | |
| SCHEMBL7450964 | 0.79 | NPC1 (0.66) | NPC1RAB9ASMN1; SMN2HPGDCYP1A2 | |
| SCHEMBL26413300 | 0.79 | NPC1 (0.71) | NPC1RAB9ASMN1; SMN2HPGDCYP1A2 |
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-2023122212-A2 | SUBSTITUTED PHENYL ETHYNYL PYRIDINE CARBOXAMIDES AS POTENT INHIBITORS OF SARS VIRUS | SOUTHERN RESEARCH INSTITUTE (US) | 2023-06-29 | — | — | WO | disclosed |