Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | CTSD | P07339 | 3/20 | 0.35 |
| ▸ | MMP1 | P03956 | 4/20 | 0.35 |
| ▸ | MMP2 | P08253 | 2/20 | 0.35 |
| ▸ | MMP3 | P08254 | 2/20 | 0.35 |
| ▸ | MMP9 | P14780 | 2/20 | 0.35 |
| ▸ | MMP12 | P39900 | 2/20 | 0.35 |
| ▸ | MMP13 | P45452 | 2/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5756531 | 0.89 | HTR2C (0.40) | — | |
| SCHEMBL5754339 | 0.87 | ALDH1A1 (0.35) | MMP1MMP2MMP3ALDH1A1HPGD | |
| SCHEMBL5757143 | 0.87 | ALDH1A1 (0.35) | MMP1MMP2MMP3ALDH1A1HPGD | |
| SCHEMBL5754050 | 0.85 | NPC1 (0.37) | NPC1RAB9APKMCTSDPPARA | |
| SCHEMBL5756778 | 0.85 | CACNA1B (0.38) | NPC1RAB9APKMCTSDHDAC1 | |
| SCHEMBL5755208 | 0.84 | CACNA1B (0.36) | NPC1RAB9AKDM4EALDH1A1LMNA | |
| SCHEMBL5752525 | 0.83 | BACE1 (0.32) | NPC1RAB9ACTSDKDM4EALDH1A1 | |
| SCHEMBL5753219 | 0.82 | ALDH1A1 (0.34) | MMP1MMP2MMP3ALDH1A1LMNA | |
| SCHEMBL5753443 | 0.81 | GSK3B (0.33) | MMP2KDM4EALDH1A1LMNAHTT | |
| SCHEMBL5754373 | 0.79 | MAPT (0.32) | KDM4EALDH1A1LMNAHPGDHTT |
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-0997147-B1 | AMINO ACID DERIVATIVES | ONO PHARMACEUTICAL CO (JP) | 2006-03-15 | — | — | EP | claimed |