Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | SETDB1 | Q15047 | 1/20 | 0.35 |
| ▸ | ICMT | O60725 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17672859 | 0.96 | ALDH1A1 (0.45) | ALDH1A1CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL17630189 | 0.80 | ALDH1A1 (0.41) | ALDH1A1CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL17679922 | 0.78 | ALDH1A1 (0.40) | ALDH1A1CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL17672687 | 0.77 | HTR1A (0.36) | SETDB1HTR1A | |
| SCHEMBL17672998 | 0.77 | ALDH1A1 (0.39) | ALDH1A1CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL17630085 | 0.75 | PDE3B (0.48) | ALDH1A1CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL17672585 | 0.75 | USP14 (0.38) | HTR1A | |
| SCHEMBL17672572 | 0.75 | TBXAS1 (0.50) | ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL17672843 | 0.75 | CYP19A1 (0.48) | HTR1A | |
| SCHEMBL17672599 | 0.74 | ALDH1A1 (0.38) | ALDH1A1CYP1A2CYP3A4CYP2D6MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016055947-A1 | ALKYNE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2016-04-14 | — | — | WO | disclosed |
| WO-2016055947-A1 | ALKYNE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2016-04-14 | — | — | WO | disclosed |
| WO-2016046782-A1 | IMIDAZOLE BIARYL COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2016-03-31 | — | — | WO | disclosed |
| WO-2016046782-A1 | IMIDAZOLE BIARYL COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2016-03-31 | — | — | WO | disclosed |