Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | CPS1 | P31327 | 4/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | AMY1A | P0DUB6 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15805339 | 0.82 | CPS1 (0.44) | CYP1A2CYP1A1CYP1B1CPS1CA12 | |
| SCHEMBL10053462 | 0.81 | CA12 (0.42) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL25918428 | 0.75 | NPC1 (0.50) | CYP1A2CYP1A1CYP1B1CA12CA1 | |
| SCHEMBL29513208 | 0.75 | CA12 (0.50) | CYP1A2CYP1A1CYP1B1CPS1CA12 | |
| SCHEMBL254529 | 0.75 | CA12 (0.50) | CYP1A2CYP1A1CYP1B1CPS1CA12 | |
| SCHEMBL14566097 | 0.73 | ALDH1A1 (0.42) | CYP1A2CA9CA14CYP2A6KMT2A | |
| SCHEMBL10340365 | 0.73 | AMY1A (0.50) | CYP1A2CYP1A1CYP1B1CPS1CA12 | |
| SCHEMBL171839 | 0.71 | CYP1A2 (0.47) | CYP1A2CYP1A1CYP1B1CPS1CA12 | |
| SCHEMBL370408 | 0.71 | CA12 (0.62) | CYP1A2CYP1A1CYP1B1CA12CA1 | |
| SCHEMBL29809608 | 0.71 | CA12 (0.62) | CYP1A2CYP1A1CYP1B1CA12CA1 |
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-2069354-B1 | Aza-benzofuranyl compounds and methods of use | GENENTECH INC (US) | 2011-11-02 | — | — | EP | disclosed |