Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.38 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.38 |
| ▸ | TUBB | P07437 | 1/20 | 0.38 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.38 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.38 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.38 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.38 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.38 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.38 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21830459 | 0.80 | CYP1A2 (0.44) | CYP1A2CYP2A6KDM4EMEN1MAPT | |
| SCHEMBL6891247 | 0.79 | CYP1A2 (0.42) | CYP1A2CYP2A6KDM4EMEN1MAPT | |
| SCHEMBL9365805 | 0.79 | CYP1A2 (0.42) | CYP1A2CYP2A6KDM4EMEN1MAPT | |
| SCHEMBL7041458 | 0.78 | — | — | |
| SCHEMBL4079928 | 0.75 | ALDH1A1 (0.42) | CYP1A2CYP2A6KDM4EMEN1MAPT | |
| SCHEMBL9939717 | 0.75 | NQO1 (0.44) | CYP1A2CYP2A6KDM4EMEN1MAPT | |
| SCHEMBL25784076 | 0.74 | CYP1A2 (0.50) | CYP1A2CYP2A6TRPA1KDM4EMEN1 | |
| SCHEMBL1392528 | 0.74 | — | — | |
| SCHEMBL27902298 | 0.74 | CYP2A6 (0.65) | CYP1A2CYP2A6KDM4EMEN1MAPT | |
| SCHEMBL3137389 | 0.72 | CYP2A6 (0.62) | CYP1A2CYP2A6KDM4EMEN1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2651871-A1 | NOVEL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | N30 Pharmaceuticals, Inc. (US) | 2013-10-23 | — | — | EP | disclosed |
| WO-2012170371-A1 | COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | N30 PHARMACEUTICALS, LLC (US) | 2012-12-13 | — | — | WO | disclosed |
| WO-2012083171-A1 | NOVEL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | N30 PHARMACEUTICALS, LLC (US) | 2012-06-21 | — | — | WO | disclosed |