Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 2/20 | 0.51 |
| ▸ | GSK3B | P49841 | 1/20 | 0.51 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.47 |
| ▸ | MMP1 | P03956 | 1/20 | 0.45 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | VNN1 | O95497 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL133449 | 0.92 | PTPN1 (0.59) | PTPN1GSK3BCES2CES1MMP1 | |
| SCHEMBL30737605 | 0.84 | LSS (0.60) | HDAC1 | |
| SCHEMBL5644564 | 0.79 | FFAR1 (0.48) | CES2CES1DAOSRD5A2HDAC1 | |
| SCHEMBL395103 | 0.77 | GSK3B (0.48) | PTPN1GSK3BCES1 | |
| SCHEMBL5793959 | 0.77 | L3MBTL1 (0.57) | — | |
| SCHEMBL28150824 | 0.76 | SRD5A2 (0.72) | PTPN1GSK3BCES2CES1SRD5A2 | |
| SCHEMBL28166342 | 0.76 | FFAR1 (0.52) | SRD5A2 | |
| SCHEMBL4306951 | 0.75 | CES2 (0.59) | PTPN1GSK3BCES2CES1HDAC8 | |
| SCHEMBL393300 | 0.75 | RAB9A (0.56) | SRD5A2HDAC1 | |
| SCHEMBL4847457 | 0.74 | PTPN1 (0.63) | PTPN1GSK3BCES2CES1MMP1 |
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-0407955-A1 | New hetrazepines acting as PAF antagonists, process for their production and their use as drugs | BOEHRINGER INGELHEIM KG (DE) | 1991-01-16 | — | — | EP | disclosed |