Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTNNB1 | P35222 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | MMP9 | P14780 | 4/20 | 0.49 |
| ▸ | MMP8 | P22894 | 2/20 | 0.48 |
| ▸ | MMP14 | P50281 | 1/20 | 0.48 |
| ▸ | MME | P08473 | 1/20 | 0.47 |
| ▸ | ACE | P12821 | 1/20 | 0.47 |
| ▸ | CPA1 | P15085 | 1/20 | 0.47 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | ANPEP | P15144 | 1/20 | 0.45 |
| ▸ | ACP3 | P15309 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13879137 | 0.85 | CTNNB1 (0.55) | CTNNB1TDP1MMP9MMP8MMP14 | |
| SCHEMBL6623784 | 0.85 | CTNNB1 (0.55) | CTNNB1TDP1MMP9MMP8MMP14 | |
| SCHEMBL16017641 | 0.85 | CTNNB1 (0.59) | CTNNB1TDP1MMP9MMP8MMP14 | |
| SCHEMBL6907446 | 0.85 | CTNNB1 (0.59) | CTNNB1TDP1MMP9MMP8MMP14 | |
| SCHEMBL16743938 | 0.85 | CTNNB1 (0.55) | CTNNB1TDP1MMP9MMP8MMP14 | |
| SCHEMBL25846959 | 0.85 | CTNNB1 (0.59) | CTNNB1TDP1MMP9MMP8MMP14 | |
| SCHEMBL18009548 | 0.84 | TSHR (0.42) | L3MBTL1KMT2AKDM4EALDH1A1 | |
| SCHEMBL1284854 | 0.83 | CTNNB1 (0.54) | CTNNB1TDP1MMP9MMP8MMP14 | |
| SCHEMBL7381650 | 0.83 | CTNNB1 (0.57) | CTNNB1TDP1MMP9L3MBTL1ACP3 | |
| SCHEMBL15314104 | 0.81 | MMP9 (0.57) | CTNNB1TDP1MMP9MMP8MMP14 |
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 |
|---|---|---|---|---|---|---|---|
| US-5610177-A | Acylated amino acids as endothelin antagonists | WARNER-LAMBERT COMPANY (US) | 1997-03-11 | — | — | US | disclosed |