Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 3/20 | 0.34 |
| ▸ | ACACB | O00763 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | AOC2 | O75106 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.31 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.31 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.31 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23266882 | 0.85 | PTGS2 (0.44) | PTGS2NPC1ALDH1A1LMNAMAPT | |
| SCHEMBL10313000 | 0.80 | ALDH1A1 (0.35) | PTGS2ALDH1A1MAPTSMN1; SMN2ACACB | |
| SCHEMBL20417810 | 0.79 | SMN1; SMN2 (0.41) | PTGS2NPC1ALDH1A1MAPTRAB9A | |
| SCHEMBL19677341 | 0.79 | PTGS2 (0.35) | PTGS2ACACBBRD4BMPR1BBMPR1A | |
| SCHEMBL14966610 | 0.75 | HCAR3 (0.46) | PTGS2ALDH1A1MAPTMAPK1SMN1; SMN2 | |
| SCHEMBL14966301 | 0.74 | KDM4E (0.43) | ALDH1A1LMNAMAPTMAPK1SMN1; SMN2 | |
| SCHEMBL2834705 | 0.72 | PLD1 (0.41) | ALDH1A1MAPT | |
| SCHEMBL12266192 | 0.71 | MGLL (0.39) | NPC1ALDH1A1LMNAMAPTMAPK1 | |
| SCHEMBL18951893 | 0.69 | PIK3CD (0.40) | NPC1ALDH1A1LMNAMAPTMAPK1 | |
| SCHEMBL20375475 | 0.69 | ACACB (0.43) | PTGS2ALDH1A1LMNAMAPTACACB |
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-2900238-B1 | FUSED HETEROCYCLIC COMPOUNDS AS SELECTIVE BMP INHIBITORS | UNIV VANDERBILT (US) | 2017-12-06 | — | — | EP | disclosed |