Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | F3 | P13726 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | STS | P08842 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 2/20 | 0.39 |
| ▸ | MMP9 | P14780 | 2/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP7 | P09237 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6687262 | 1.00 | ALDH1A1 (0.43) | ALDH1A1F3NPC1RAB9APKM | |
| SCHEMBL6690143 | 0.88 | GPR119 (0.41) | NPC1RAB9ASMN1; SMN2PTPN1HDAC1 | |
| SCHEMBL6690141 | 0.88 | GPR119 (0.41) | NPC1RAB9ASMN1; SMN2PTPN1HDAC1 | |
| SCHEMBL6690510 | 0.86 | MAOB (0.42) | MAOB | |
| SCHEMBL6690504 | 0.86 | MAOB (0.42) | MAOB | |
| SCHEMBL6690512 | 0.86 | MAOB (0.42) | MAOB | |
| SCHEMBL6687420 | 0.82 | LMNA (0.47) | ALDH1A1SMN1; SMN2PTPN1LMNAMAOB | |
| SCHEMBL6688061 | 0.82 | HDAC1 (0.40) | NPC1PTPN1HDAC3HDAC1HDAC2 | |
| SCHEMBL6688055 | 0.82 | HDAC1 (0.40) | NPC1PTPN1HDAC3HDAC1HDAC2 | |
| SCHEMBL6687419 | 0.82 | LMNA (0.47) | ALDH1A1SMN1; SMN2PTPN1LMNAMAOB |
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 |