Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 1/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.31 |
| ▸ | CDK2 | P24941 | 2/20 | 0.31 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5411747 | 1.00 | SLC6A3 (0.35) | SLC6A3SLC6A2SLC6A4DHFRTSHR | |
| SCHEMBL7147881 | 1.00 | SLC6A3 (0.35) | SLC6A3SLC6A2SLC6A4DHFRTSHR | |
| SCHEMBL5411733 | 1.00 | SLC6A3 (0.35) | SLC6A3SLC6A2SLC6A4DHFRTSHR | |
| SCHEMBL5406533 | 1.00 | SLC6A3 (0.35) | SLC6A3SLC6A2SLC6A4DHFRTSHR | |
| SCHEMBL5406524 | 1.00 | SLC6A3 (0.35) | SLC6A3SLC6A2SLC6A4DHFRTSHR | |
| SCHEMBL7142124 | 0.85 | KIF11 (0.32) | KIF11 | |
| SCHEMBL5404176 | 0.85 | KIF11 (0.32) | KIF11 | |
| SCHEMBL5404159 | 0.85 | KIF11 (0.32) | KIF11 | |
| SCHEMBL7144835 | 0.85 | KIF11 (0.32) | KIF11 | |
| SCHEMBL7139355 | 0.81 | SLC6A3 (0.42) | SLC6A3SLC6A2SLC6A4DHFRTSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1303486-A1 | PYRROLIDINE DERIVATIVES AS METALLOPROTEASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-04-23 | — | — | EP | disclosed |
| WO-2002008185-A1 | PYRROLIDINE DERIVATIVES AS METALLOPROTEASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-01-31 | — | — | WO | disclosed |