Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP7 | P09237 | 1/20 | 0.31 |
| ▸ | MMP12 | P39900 | 1/20 | 0.31 |
| ▸ | ECE1 | P42892 | 1/20 | 0.31 |
| ▸ | MMP13 | P45452 | 1/20 | 0.31 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11480211 | 1.00 | ALDH1A1 (0.34) | ALDH1A1CES2CES1EPHX2EPHX1 | |
| SCHEMBL21455429 | 1.00 | ALDH1A1 (0.34) | ALDH1A1CES2CES1EPHX2EPHX1 | |
| SCHEMBL6406451 | 0.80 | POLB (0.40) | ALDH1A1CES2CES1EPHX2EPHX1 | |
| SCHEMBL3311509 | 0.77 | LMNA (0.35) | CES2CES1EPHX2EPHX1MMP1 | |
| SCHEMBL21753714 | 0.76 | MMP1 (0.32) | MMP1MMP7MMP12ECE1MMP13 | |
| SCHEMBL10982764 | 0.76 | MMP1 (0.32) | MMP1MMP7MMP12ECE1MMP13 | |
| SCHEMBL8528985 | 0.74 | SMN1; SMN2 (0.37) | ALDH1A1EPHX1MMP1MMP7MMP12 | |
| SCHEMBL19881165 | 0.71 | — | — | |
| SCHEMBL1060897 | 0.71 | CA1 (0.36) | EPHX1LOXL2 | |
| SCHEMBL10654218 | 0.69 | — | — |
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-3526198-B1 | 3-SULFONYL-5-AMINOPYRIDINE-2,4-DIOL APJ AGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2020-08-12 | — | — | EP | disclosed |