Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FASN | P49327 | 3/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | GSK3A | P49840 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.39 |
| ▸ | WNT3A | P56704 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.38 |
| ▸ | MELK | Q14680 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | GHSR | Q92847 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18924459 | 0.88 | FASN (0.56) | FASNPTGS2ABL1HPGDTSHR | |
| SCHEMBL18924455 | 0.84 | MAPK14 (0.43) | HPGDS1PR1NPC1CNR2SLC6A2 | |
| SCHEMBL19391086 | 0.82 | ABL1 (0.48) | FASNPTGS2ABL1S1PR1GSK3A | |
| SCHEMBL10762514 | 0.82 | RAB9A (0.52) | CTNNB1WNT3AEPHX1NPC1CNR2 | |
| SCHEMBL18924349 | 0.81 | ABL1 (0.47) | FASNPTGS2ABL1S1PR1GSK3A | |
| SCHEMBL20897035 | 0.81 | RAB9A (0.54) | HPGDTSHRCTNNB1WNT3AEPHX1 | |
| SCHEMBL16324032 | 0.81 | FASN (0.61) | FASN | |
| SCHEMBL18924393 | 0.79 | FASN (0.51) | FASNABL1HPGDGSK3BNPC1 | |
| SCHEMBL18924529 | 0.79 | POLB (0.46) | HPGDS1PR1NPC1CNR2GHSR | |
| SCHEMBL19391081 | 0.79 | ABL1 (0.45) | FASNPTGS2ABL1HPGDS1PR1 |
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 |