Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.50 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | RXRA | P19793 | 1/20 | 0.46 |
| ▸ | RXRB | P28702 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.46 |
| ▸ | ACACB | O00763 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL9001761 | 0.89 | USP30 (0.59) | ALDH1A1GAASMN1; SMN2NPC1RAB9A | |
| SCHEMBL9001766 | 0.86 | ALDH1A1 (0.66) | ALDH1A1GAASMN1; SMN2NPC1RAB9A | |
| SCHEMBL18924426 | 0.86 | L3MBTL1 (0.59) | ALDH1A1GAASMN1; SMN2NPC1RAB9A | |
| SCHEMBL19391354 | 0.86 | ALDH1A1 (0.52) | ALDH1A1GAASMN1; SMN2NPC1RAB9A | |
| SCHEMBL18924525 | 0.86 | KCNH2 (0.57) | ALDH1A1GAASMN1; SMN2NPC1RAB9A | |
| SCHEMBL18924523 | 0.84 | RXRB (0.50) | ALDH1A1GAASMN1; SMN2NPC1RAB9A | |
| SCHEMBL18924562 | 0.83 | ALDH1A1 (0.53) | ALDH1A1GAASMN1; SMN2NPC1RAB9A | |
| SCHEMBL18924563 | 0.83 | MCHR1 (0.59) | ALDH1A1GAASMN1; SMN2NPC1RAB9A | |
| SCHEMBL19403582 | 0.83 | FASN (0.60) | ALDH1A1GAASMN1; SMN2NPC1RAB9A | |
| SCHEMBL18924526 | 0.83 | MCHR1 (0.62) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9670142-B2 | 1,3-diaminocyclopentane carboxamide derivatives | MERCK PATENT GMBH (DE) | 2017-06-06 | — | — | US | disclosed |