Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 6/20 | 0.48 |
| ▸ | PTGES | O14684 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 5/20 | 0.42 |
| ▸ | CA2 | P00918 | 5/20 | 0.42 |
| ▸ | CA9 | Q16790 | 4/20 | 0.42 |
| ▸ | CA12 | O43570 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.41 |
| ▸ | ITGAV | P06756 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7856532 | 0.92 | CA1 (0.51) | HTR6PTGESALDH1A1PKMCA1 | |
| SCHEMBL7861976 | 0.87 | CA12 (0.43) | HTR6PTGESALDH1A1PKMCA1 | |
| SCHEMBL7864272 | 0.86 | NAMPT (0.58) | HTR6CA1CA2CA9CA12 | |
| SCHEMBL7863291 | 0.80 | ITGB3 (0.45) | HTR6PKMCA1CA2CA9 | |
| SCHEMBL7861846 | 0.79 | CA1 (0.44) | HTR6PTGESALDH1A1PKMCA1 | |
| SCHEMBL7856518 | 0.79 | PTGES (0.40) | HTR6PTGESALDH1A1PKMCA1 | |
| SCHEMBL6366661 | 0.77 | GBA1 (0.46) | HTR6ALDH1A1PKMCA1CA2 | |
| SCHEMBL31689529 | 0.74 | HTR6 (0.64) | HTR6PTGESPKMMEN1KMT2A | |
| SCHEMBL7861972 | 0.74 | TGFBR1 (0.43) | ALDH1A1PKMCA1CA2MAPT | |
| SCHEMBL7864224 | 0.74 | NAMPT (0.51) | ALDH1A1CA1CA2CA9CA12 |
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-0889877-B1 | META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS | SEARLE & CO (US) | 2001-08-29 | — | — | EP | claimed |