Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSMB5 | P28074 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | MMP8 | P22894 | 1/20 | 0.49 |
| ▸ | MME | P08473 | 5/20 | 0.46 |
| ▸ | TACR1 | P25103 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.46 |
| ▸ | ACE | P12821 | 1/20 | 0.45 |
| ▸ | CPA1 | P15085 | 1/20 | 0.45 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9487298 | 0.87 | TP53 (0.61) | PSMB5TP53MMP8TACR1ALDH1A1 | |
| SCHEMBL9487303 | 0.87 | TP53 (0.61) | PSMB5TP53MMP8TACR1ALDH1A1 | |
| SCHEMBL30481165 | 0.86 | MME (0.58) | PSMB5MMEACECPA1ACE2 | |
| SCHEMBL7617954 | 0.83 | PSMB5 (0.50) | PSMB5TP53MMP8TACR1ALDH1A1 | |
| SCHEMBL3701701 | 0.83 | PSMB5 (0.50) | PSMB5TP53MMP8TACR1ALDH1A1 | |
| SCHEMBL8848739 | 0.82 | MMP8 (0.51) | MMP8MME | |
| SCHEMBL17619379 | 0.82 | CNR2 (0.52) | TP53ALDH1A1CTSLCTSBCTSS | |
| SCHEMBL7923964 | 0.82 | TP53 (0.59) | TP53MMP8TACR1ALDH1A1 | |
| SCHEMBL15692319 | 0.82 | PSMB5 (0.64) | PSMB5MMEHDAC3HDAC4HDAC1 | |
| SCHEMBL7615217 | 0.81 | PSMB5 (0.48) | PSMB5TP53HDAC3HDAC4HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012065102-A2 | S-T-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS | PROMENTIS PHARMACEUTICALS, INC. (US) | 2012-05-18 | — | — | WO | disclosed |