Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 10/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.44 |
| ▸ | DHFR | P00374 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1420772 | 1.00 | SLC6A3 (0.45) | SLC6A3SLC6A4SLC6A2DHFRALDH1A1 | |
| SCHEMBL27569312 | 0.76 | SLC6A4 (0.52) | SLC6A3SLC6A4SLC6A2ALDH1A1LMNA | |
| SCHEMBL28806235 | 0.75 | TSHR (0.55) | SLC6A3SLC6A4SLC6A2ALDH1A1LMNA | |
| SCHEMBL14382903 | 0.75 | SLC6A3 (0.42) | SLC6A3SLC6A4SLC6A2DHFRALDH1A1 | |
| SCHEMBL842289 | 0.74 | LMNA (0.58) | SLC6A3SLC6A4SLC6A2ALDH1A1LMNA | |
| SCHEMBL28159179 | 0.73 | SLC6A4 (0.49) | SLC6A3SLC6A4SLC6A2ALDH1A1LMNA | |
| SCHEMBL28858987 | 0.72 | SLC6A4 (0.48) | SLC6A3SLC6A4SLC6A2ALDH1A1LMNA | |
| SCHEMBL27301151 | 0.71 | CHRNA7 (0.51) | SLC6A3LMNA | |
| Hydrochloric Acid SCHEMBL8555535 | 0.70 | SLC6A3 (0.46) | SLC6A3SLC6A4SLC6A2LMNATSHR | |
| SCHEMBL28765067 | 0.69 | SLC6A3 (0.49) | SLC6A3SLC6A4SLC6A2DHFRALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8153805-B2 | Biaryl derivatives | HOFFMANN-LA ROCHE INC. (US) | 2012-04-10 | — | — | US | disclosed |
| EP-2173735-B1 | IMIDAZOLE DERIVATIVES AS CCR2 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2012-01-11 | — | — | EP | disclosed |
| US-7935707-B2 | Imidazole derivatives | HOFFMAN-LA ROCHE INC. (US) | 2011-05-03 | — | — | US | disclosed |