Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ACE | P12821 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.32 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10797111 | 0.83 | CYP2C9 (0.41) | CYP2C9ACEALOX15KDM4EMAPT | |
| SCHEMBL10797114 | 0.83 | CYP2C9 (0.41) | CYP2C9ACEALOX15KDM4EMAPT | |
| SCHEMBL377145 | 0.81 | KDM4E (0.57) | ACEALOX15KDM4EMAPTTHRB | |
| SCHEMBL8943683 | 0.81 | KDM4E (0.57) | ACEALOX15KDM4EMAPTTHRB | |
| SCHEMBL5020127 | 0.81 | L3MBTL1 (0.50) | CYP2C9ACEALOX15KDM4EMAPT | |
| SCHEMBL377144 | 0.81 | KDM4E (0.57) | ACEALOX15KDM4EMAPTTHRB | |
| SCHEMBL5020111 | 0.81 | CYP2C9 (0.36) | CYP2C9ALOX15KDM4EMAPTL3MBTL1 | |
| SCHEMBL16001087 | 0.80 | ACE (0.38) | CYP2C9ACEALOX15KDM4EMAPT | |
| SCHEMBL24374503 | 0.76 | ACE (0.38) | ACEALOX15KDM4EMAPTTHRB | |
| SCHEMBL20122405 | 0.76 | ACE (0.38) | ACEALOX15KDM4EMAPTTHRB |
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 |