Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | DDB1 | Q16531 | 3/20 | 0.40 |
| ▸ | CRBN | Q96SW2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | IKZF3 | Q9UKT9 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7347700 | 0.85 | CA12 (0.43) | CA12CA9DDB1CRBNALDH1A1 | |
| SCHEMBL7347694 | 0.85 | CA12 (0.43) | CA12CA9DDB1CRBNALDH1A1 | |
| SCHEMBL7064735 | 0.78 | CA12 (0.41) | CA12CA9DDB1CRBNALDH1A1 | |
| SCHEMBL7064006 | 0.78 | CA12 (0.41) | CA12CA9DDB1CRBNALDH1A1 | |
| SCHEMBL7340917 | 0.77 | CA12 (0.39) | CA12CA9DDB1CRBNALDH1A1 | |
| SCHEMBL7340906 | 0.77 | CA12 (0.39) | CA12CA9DDB1CRBNALDH1A1 | |
| SCHEMBL18366037 | 0.76 | DDB1 (0.44) | DDB1CRBNALDH1A1CYP1A2CHRM2 | |
| SCHEMBL8485053 | 0.75 | CA12 (0.41) | CA12CA9DDB1CRBNALDH1A1 | |
| SCHEMBL8485043 | 0.75 | CA12 (0.41) | CA12CA9DDB1CRBNALDH1A1 | |
| SCHEMBL1938131 | 0.75 | CA12 (0.41) | CA12CA9DDB1CRBNALDH1A1 |
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-0728746-B1 | Azepinone compounds useful in the inhibition of ACE and NEP | BRISTOL MYERS SQUIBB CO (US) | 2003-05-28 | — | — | EP | disclosed |
| US-5994537-A | Process for preparing azepinone compounds useful in the inhibition of ACE and NEP | BRISTOL-MYERS SQUIBB CO. (US) | 1999-11-30 | — | — | US | disclosed |
| EP-0728746-A1 | Azepinone compounds useful in the inhibition of ACE and NEP | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-08-28 | — | — | EP | disclosed |