Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31185057 | 1.00 | PTGDR2 (0.43) | PTGDR2SLC6A2SLC6A4NPC1CHEK1 | |
| SCHEMBL19582282 | 0.91 | PTGDR2 (0.43) | PTGDR2SLC6A2SLC6A4NPC1CHEK1 | |
| SCHEMBL795719 | 0.86 | PTGDR2 (0.48) | PTGDR2SLC6A2SLC6A4NPC1CHEK1 | |
| SCHEMBL29417721 | 0.86 | PTGDR2 (0.48) | PTGDR2SLC6A2SLC6A4NPC1CHEK1 | |
| SCHEMBL1561687 | 0.86 | CYP2A6 (0.35) | PTGDR2ALDH1A1MAPK1TSHRGFER | |
| SCHEMBL15653274 | 0.80 | PYCR1 (0.32) | PTGDR2TSHRGFERALOX15 | |
| SCHEMBL8128901 | 0.80 | PTGDR2 (0.44) | PTGDR2SLC6A2SLC6A4NPC1CHEK1 | |
| SCHEMBL23275220 | 0.78 | SMN1; SMN2 (0.39) | ALDH1A1MAPK1LMNAMAPTRAB9A | |
| SCHEMBL30219182 | 0.78 | PTGDR2 (0.43) | PTGDR2SLC6A2SLC6A4NPC1CHEK1 | |
| SCHEMBL24102707 | 0.78 | PTGDR2 (0.43) | PTGDR2SLC6A2SLC6A4NPC1CHEK1 |
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-2020216240-A1 | DICYCLIC ALKANE COMPOUND USEFUL AS INHIBITOR OF PLASMA KALLIKREIN | 南京明德新药研发有限公司 | 2020-10-29 | — | — | WO | disclosed |