Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | CTSB | P07858 | 1/20 | 0.45 |
| ▸ | CTSK | P43235 | 1/20 | 0.45 |
| ▸ | ECE1 | P42892 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CCR4 | P51679 | 4/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.40 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.40 |
| ▸ | LOX | P28300 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 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 | |
|---|---|---|---|---|
| SCHEMBL5406593 | 0.90 | AKR1C3 (0.43) | CTSLCTSBCTSKECE1ALDH1A1 | |
| SCHEMBL5410253 | 0.81 | ECE1 (0.48) | ECE1ALDH1A1KDM4ECCR4AKR1C3 | |
| SCHEMBL5399015 | 0.81 | ECE1 (0.48) | ECE1ALDH1A1KDM4ECCR4AKR1C3 | |
| SCHEMBL5407141 | 0.81 | CCR4 (0.47) | ECE1CCR4AKR1C3AKR1C1MMP1 | |
| SCHEMBL5405396 | 0.80 | PKM (0.46) | ALDH1A1KDM4EAKR1C3AKR1C1LMNA | |
| SCHEMBL5405402 | 0.80 | PKM (0.46) | ALDH1A1KDM4EAKR1C3AKR1C1LMNA | |
| SCHEMBL5416691 | 0.80 | CTSL (0.49) | CTSLCTSBCTSKMMP1MMP2 | |
| SCHEMBL5412857 | 0.79 | MMP1 (0.43) | ALDH1A1KDM4ECCR4AKR1C3AKR1C1 | |
| SCHEMBL5415494 | 0.78 | ALDH1A1 (0.45) | ALDH1A1KDM4EAKR1C3AKR1C1LMNA | |
| SCHEMBL5414258 | 0.76 | MMP9 (0.41) | ECE1ALDH1A1KDM4ECCR4AKR1C3 |
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 |
|---|---|---|---|---|---|---|---|
| US-7189756-B2 | Pyrrolidine derivatives | HOFFMAN-LA ROCHE INC. (US) | 2007-03-13 | — | — | US | disclosed |