Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CCR9 | P51686 | 10/20 | 0.37 |
| ▸ | CCR2 | P41597 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.36 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3578962 | 0.86 | CCR1 (0.37) | ALDH1A1CCR9CCR2SERPINE1KDM4E | |
| SCHEMBL3577474 | 0.86 | CCR9 (0.35) | ALDH1A1CCR9CCR2CRHR1SERPINE1 | |
| SCHEMBL3576392 | 0.86 | HCRTR1 (0.38) | ALDH1A1CCR9CCR2SERPINE1KDM4E | |
| SCHEMBL3577510 | 0.86 | SERPINE1 (0.36) | ALDH1A1CCR9CCR2SERPINE1KDM4E | |
| SCHEMBL3582314 | 0.84 | CCR9 (0.38) | CCR9CCR2SERPINE1 | |
| SCHEMBL3580080 | 0.82 | KLKB1 (0.36) | ALDH1A1CCR9CCR2POLBSERPINE1 | |
| SCHEMBL3581537 | 0.79 | PTGER2 (0.42) | CCR9 | |
| SCHEMBL3584396 | 0.78 | C5AR1 (0.44) | ALDH1A1KMT2ACCR9CCR2POLB | |
| SCHEMBL3576868 | 0.77 | HCRTR1 (0.42) | CCR9SERPINE1 | |
| SCHEMBL3581366 | 0.77 | HCRTR1 (0.38) | ALDH1A1CCR9CCR2SERPINE1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-7678818-B2 | Anthranilamide and 2-amino-heteroarene-carboxamide compounds | HOFFMANN-LA ROCHE INC. (US) | 2010-03-16 | — | — | US | claimed |
| EP-1984340-B1 | ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2012-06-27 | — | — | EP | disclosed |