Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.54 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.54 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | PDE5A | O76074 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8196859 | 0.88 | PTGS2 (0.84) | PTGS2SMN1; SMN2ALDH1A1TSHRCSNK2A2 | |
| SCHEMBL8196599 | 0.83 | PTGS2 (0.63) | PTGS2SMN1; SMN2ALDH1A1TSHRHTT | |
| SCHEMBL8198106 | 0.81 | PTGS2 (0.44) | PTGS2SMN1; SMN2ALDH1A1TSHRMEN1 | |
| SCHEMBL13343675 | 0.80 | PTGS2 (0.67) | PTGS2SMN1; SMN2ALDH1A1TSHRHTT | |
| SCHEMBL31716664 | 0.77 | TNKS2 (0.53) | ALDH1A1KMT2ATP53HPGD | |
| SCHEMBL8200741 | 0.77 | TNKS2 (0.53) | ALDH1A1KMT2ATP53HPGD | |
| SCHEMBL18791358 | 0.77 | L3MBTL1 (0.64) | PTGS2SMN1; SMN2ALDH1A1TSHRHTT | |
| SCHEMBL22042834 | 0.77 | MEN1 (0.83) | PTGS2SMN1; SMN2ALDH1A1TSHRHTT | |
| SCHEMBL22042983 | 0.77 | CYP1A2 (0.85) | SMN1; SMN2ALDH1A1TSHRHTTMEN1 | |
| SCHEMBL22042822 | 0.74 | SMN1; SMN2 (0.78) | PTGS2SMN1; SMN2ALDH1A1TSHRHTT |
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-2008063668-A1 | HETEROBICYCLIC METALLOPROTEASE INHIBITORS | ALANTOS PHARMACEUTICALS HOLDING, INC. (US) | 2008-05-29 | — | — | WO | disclosed |