Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 6/20 | 0.45 |
| ▸ | PTGES | O14684 | 1/20 | 0.43 |
| ▸ | PKLR | P30613 | 1/20 | 0.42 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.41 |
| ▸ | ITGAV | P06756 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | IKBKB | O14920 | 1/20 | 0.39 |
| ▸ | PHGDH | O43175 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.38 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8705444 | 0.95 | PTGES (0.43) | HTR6PTGESPKLRITGB3ITGAV | |
| SCHEMBL8709447 | 0.90 | ITGB3 (0.48) | PKLRITGB3ITGAVMAPTMEN1 | |
| SCHEMBL8709683 | 0.89 | ITGB3 (0.43) | PKLRITGB3ITGAVMAPTKDM4E | |
| SCHEMBL8712032 | 0.84 | SLC7A5 (0.43) | ITGB3ITGAVMAPTMEN1KMT2A | |
| SCHEMBL8707148 | 0.83 | KDM4E (0.43) | ITGB3ITGAVMAPTKDM4EMEN1 | |
| SCHEMBL8705462 | 0.83 | MAPT (0.44) | PKLRITGB3ITGAVMAPTMEN1 | |
| SCHEMBL8709540 | 0.83 | ITGB3 (0.43) | ITGB3ITGAVMEN1KMT2APOLB | |
| SCHEMBL8705691 | 0.82 | MAPT (0.50) | ITGB3ITGAVMAPTMEN1KMT2A | |
| SCHEMBL8711591 | 0.81 | ITGB3 (0.38) | PKLRITGB3ITGAVMAPTKDM4E | |
| SCHEMBL8709162 | 0.81 | MAPT (0.45) | ITGB3ITGAVMAPTMEN1KMT2A |
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-1998041515-A1 | ENDOTHOLIN RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 1998-09-24 | — | — | WO | disclosed |