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 | 3/20 | 0.52 |
| ▸ | POLB | P06746 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.49 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.46 |
| ▸ | FASN | P49327 | 1/20 | 0.46 |
| ▸ | ACACB | O00763 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL18924383 | 0.83 | ALDH1A1 (0.53) | ALDH1A1GAASMN1; SMN2NPC1POLB | |
| SCHEMBL19403582 | 0.82 | FASN (0.60) | ALDH1A1GAASMN1; SMN2NPC1POLB | |
| SCHEMBL18924526 | 0.82 | MCHR1 (0.62) | MCHR1 | |
| SCHEMBL9001766 | 0.82 | ALDH1A1 (0.66) | ALDH1A1GAASMN1; SMN2NPC1POLB | |
| SCHEMBL9001761 | 0.82 | USP30 (0.59) | ALDH1A1GAASMN1; SMN2NPC1POLB | |
| SCHEMBL18924426 | 0.82 | L3MBTL1 (0.59) | ALDH1A1GAASMN1; SMN2NPC1POLB | |
| SCHEMBL18924525 | 0.82 | KCNH2 (0.57) | ALDH1A1GAASMN1; SMN2NPC1POLB | |
| SCHEMBL19391354 | 0.82 | ALDH1A1 (0.52) | ALDH1A1GAASMN1; SMN2NPC1POLB | |
| SCHEMBL18924563 | 0.79 | MCHR1 (0.59) | ALDH1A1GAASMN1; SMN2NPC1POLB | |
| SCHEMBL20460529 | 0.78 | POLB (0.60) | ALDH1A1GAASMN1; SMN2NPC1POLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3010916-B1 | 1,3-DIAMINOCYCLOPENTANE CARBOXAMIDE DERIVATIVES | MERCK PATENT GMBH (DE) | 2017-09-27 | — | — | EP | disclosed |
| US-9670142-B2 | 1,3-diaminocyclopentane carboxamide derivatives | MERCK PATENT GMBH (DE) | 2017-06-06 | — | — | US | disclosed |