Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | KLF10 | Q13118 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 3/20 | 0.51 |
| ▸ | CA2 | P00918 | 3/20 | 0.51 |
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | CA7 | P43166 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.51 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7647241 | 0.88 | CYP3A4 (0.56) | CYP3A4CA1CA2CA12CA7 | |
| SCHEMBL11061923 | 0.87 | CYP3A4 (0.64) | CYP3A4CA1CA2CA12CA7 | |
| SCHEMBL22472109 | 0.87 | CYP3A4 (0.56) | CYP3A4KLF10CA1CA2CA12 | |
| SCHEMBL2966217 | 0.84 | CA12 (0.63) | CYP3A4CA1CA2CA12CA7 | |
| SCHEMBL8786921 | 0.83 | ALDH1A1 (0.63) | CYP3A4ALDH1A1HSD17B10TSHRKDM4E | |
| SCHEMBL1641611 | 0.82 | CA12 (0.74) | KLF10CA1CA2CA12CA7 | |
| SCHEMBL788648 | 0.81 | CYP3A4 (0.63) | CYP3A4CA1CA2CA12CA7 | |
| SCHEMBL24728384 | 0.81 | CYP3A4 (0.56) | CYP3A4CA1CA2CA12CA7 | |
| SCHEMBL11847851 | 0.81 | CYP3A4 (0.56) | CYP3A4CA1CA2CA12CA7 | |
| SCHEMBL31020227 | 0.81 | CYP3A4 (0.56) | CYP3A4CA1CA2CA12CA7 |
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-0920413-B1 | BORONIC COMPOUND COMPLEXING REAGENTS AND COMPLEXES | PROLINX INC (US) | 2002-11-13 | — | — | EP | claimed |