Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 2/20 | 0.51 |
| ▸ | CA2 | P00918 | 2/20 | 0.51 |
| ▸ | CA7 | P43166 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.48 |
| ▸ | LIPE | Q05469 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 2/20 | 0.47 |
| ▸ | DRD5 | P21918 | 2/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2948505 | 0.89 | AKR1C3 (0.56) | ESR1ESR2CA1CA2CA7 | |
| SCHEMBL2945338 | 0.88 | ESR1 (0.50) | ESR1ESR2CA1CA2CA7 | |
| SCHEMBL5525452 | 0.85 | DRD1 (0.57) | ESR1ESR2DRD1DRD5ABHD6 | |
| SCHEMBL30109340 | 0.83 | LIPE (0.58) | ALDH1A1LIPENPC1RAB9A | |
| SCHEMBL17869278 | 0.82 | NPC1 (0.58) | HDAC6ALDH1A1LIPENPC1RAB9A | |
| SCHEMBL6379837 | 0.81 | MAOB (0.61) | ALDH1A1MAOBPOLB | |
| SCHEMBL29500325 | 0.80 | MAOB (0.70) | ESR1ESR2CA1CA2CA9 | |
| SCHEMBL10673137 | 0.80 | DRD1 (0.52) | ESR1ESR2CA1CA2CA9 | |
| SCHEMBL16827433 | 0.80 | MAOB (0.70) | ESR1ESR2CA1CA2CA9 | |
| SCHEMBL28457628 | 0.80 | DRD1 (0.62) | ESR1ESR2DRD1DRD5MAOB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012170371-A1 | COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | N30 PHARMACEUTICALS, LLC (US) | 2012-12-13 | — | — | WO | disclosed |