Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.46 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.46 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.46 |
| ▸ | RHOC | P08134 | 1/20 | 0.46 |
| ▸ | RHOA | P61586 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.45 |
| ▸ | NT5E | P21589 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL17542065 | 0.84 | SMN1; SMN2 (0.52) | NPC1RAB9ASMN1; SMN2ENPP3ENPP1 | |
| SCHEMBL17541988 | 0.81 | NPC1 (0.56) | NPC1RAB9ASMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL18863018 | 0.80 | NPC1 (0.51) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL19056206 | 0.77 | MAOA (0.45) | — | |
| SCHEMBL28910371 | 0.75 | TRPV1 (0.71) | NPC1RAB9ASMN1; SMN2ENPP3ENPP1 | |
| SCHEMBL10939703 | 0.73 | NPC1 (0.76) | NPC1RAB9ASMN1; SMN2LMNANT5E | |
| SCHEMBL9767723 | 0.73 | NPC1 (0.76) | NPC1RAB9ASMN1; SMN2LMNANT5E | |
| SCHEMBL611657 | 0.73 | NPC1 (0.76) | NPC1RAB9ASMN1; SMN2LMNANT5E | |
| SCHEMBL12334581 | 0.72 | RORC (0.77) | NPC1RAB9ASMN1; SMN2ENPP3ENPP1 | |
| SCHEMBL12841602 | 0.71 | RHOC (0.78) | NPC1RAB9ASMN1; SMN2ENPP3ENPP1 |
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-3186224-B1 | SUBSTITUTED AZETIDINE DERIVATIVES AS TAAR LIGANDS | HOFFMANN LA ROCHE (CH) | 2021-04-21 | — | — | EP | disclosed |