Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 6/20 | 0.43 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.43 |
| ▸ | PTGES | O14684 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | IDH1 | O75874 | 4/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | IKBKB | O14920 | 1/20 | 0.39 |
| ▸ | GHSR | Q92847 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7861976 | 0.93 | CA12 (0.43) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL7864224 | 0.89 | NAMPT (0.51) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL7856532 | 0.86 | CA1 (0.51) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL7864284 | 0.85 | NAMPT (0.50) | CA1CA2CA12CA9LMNA | |
| SCHEMBL7864643 | 0.84 | ALDH1A1 (0.39) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL7856443 | 0.83 | LMNA (0.45) | ALDH1A1LMNAMAPTMEN1KMT2A | |
| SCHEMBL7861844 | 0.80 | CA1 (0.47) | CA1CA2ALDH1A1L3MBTL1TGFBR1 | |
| SCHEMBL7863294 | 0.79 | HTR6 (0.48) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL7864723 | 0.79 | TGFBR1 (0.38) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL7864272 | 0.75 | NAMPT (0.58) | CA1CA2CA12CA9HTR6 |
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 2 patents. 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 |
| EP-0889877-B1 | META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS | SEARLE & CO (US) | 2001-08-29 | — | — | EP | disclosed |