Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.46 |
| ▸ | TDP2 | O95551 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | CASP9 | P55211 | 1/20 | 0.45 |
| ▸ | CASP6 | P55212 | 1/20 | 0.45 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | XDH | P47989 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 5/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6687245 | 1.00 | MAPT (0.48) | MAPTSOS1TDP2CASP7CASP9 | |
| SCHEMBL6687242 | 1.00 | MAPT (0.48) | MAPTSOS1TDP2CASP7CASP9 | |
| SCHEMBL6976986 | 0.81 | ALDH1A1 (0.50) | MAPTSOS1TDP2CASP7CASP9 | |
| SCHEMBL6976988 | 0.81 | ALDH1A1 (0.50) | MAPTSOS1TDP2CASP7CASP9 | |
| SCHEMBL6976996 | 0.81 | ALDH1A1 (0.50) | MAPTSOS1TDP2CASP7CASP9 | |
| SCHEMBL3131670 | 0.76 | MAPT (0.54) | MAPTSOS1MAOBALDH1A1NPC1 | |
| SCHEMBL3131663 | 0.76 | MAPT (0.54) | MAPTSOS1MAOBALDH1A1NPC1 | |
| SCHEMBL30810472 | 0.76 | MAPT (0.54) | MAPTSOS1MAOBALDH1A1NPC1 | |
| SCHEMBL11332190 | 0.76 | ALDH1A1 (0.50) | MAPTSOS1MAOBALDH1A1NPC1 | |
| SCHEMBL11332188 | 0.76 | ALDH1A1 (0.50) | MAPTSOS1MAOBALDH1A1NPC1 |
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-2004089362-A1 | 2-CYANOPYRROLES AND THEIR ANALOGUES AS DDP-IV INHIBITORS | NOVO NORDISK A/S (DK) | 2004-10-21 | — | — | WO | disclosed |