Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.48 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.44 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.42 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.41 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.41 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.40 |
| ▸ | STAT3 | P40763 | 2/20 | 0.38 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3790673 | 0.85 | NR1H4 (0.51) | NR1H2NR1H3CA12CA1CA2 | |
| SCHEMBL16594355 | 0.83 | CA12 (0.50) | CA12CA1CA2CA9CA14 | |
| SCHEMBL7582610 | 0.83 | ADRB2 (0.48) | CA12CA1CA2CA9CA14 | |
| Hydrochloric Acid SCHEMBL5963878 | 0.82 | CA12 (0.49) | CA12CA1CA2CA9CA14 | |
| SCHEMBL23582799 | 0.81 | LOXL2 (0.62) | CA12CA1CA2CA9CA14 | |
| SCHEMBL2207588 | 0.81 | CYP4A11 (0.60) | CA12CA1CA2CA9CA14 | |
| SCHEMBL13891334 | 0.81 | PLK1 (0.51) | CA12CA1CA2CA9CA14 | |
| SCHEMBL30873953 | 0.81 | RXRA (0.56) | NR1H2NR1H3CA12CA1CA2 | |
| SCHEMBL8327925 | 0.81 | CA12 (0.42) | CA12CA1CA2CA9CA14 | |
| SCHEMBL31688879 | 0.81 | CYP4A11 (0.49) | NR1H2CA12CA1CA2CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0869787-A4 | VITRONECTIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 1999-03-24 | — | — | EP | disclosed |
| EP-0869787-A1 | VITRONECTIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-10-14 | — | — | EP | disclosed |
| WO-1997024119-A1 | VITRONECTIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1997-07-10 | — | — | WO | disclosed |