Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | ERN1 | O75460 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29386751 | 0.82 | KDM1A (0.34) | AKR1B1 | |
| SCHEMBL31507839 | 0.75 | AKR1B1 (0.41) | AKR1B1PTPN1CA1CA2CA4 | |
| SCHEMBL29344241 | 0.71 | AKR1B1 (0.38) | AKR1B1PTPN1CA1CA2CA4 | |
| SCHEMBL31491046 | 0.71 | CA1 (0.36) | CA1CA2 | |
| SCHEMBL29937286 | 0.71 | AKR1B1 (0.38) | AKR1B1PTPN1CA1CA2CA4 | |
| SCHEMBL5270598 | 0.70 | KDM1A (0.31) | — | |
| SCHEMBL18894041 | 0.70 | CA1 (0.41) | AKR1B1PTPN1CA1CA2CA4 | |
| SCHEMBL29165424 | 0.68 | AKR1B1 (0.31) | AKR1B1 | |
| SCHEMBL17274235 | 0.67 | TTR (0.39) | AKR1B1PTPN1CA1CA2CA4 | |
| SCHEMBL25349205 | 0.67 | CA1 (0.42) | AKR1B1PTPN1CA1CA2CA4 |
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-2021203023-A1 | INDOLE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2021-10-07 | — | — | WO | disclosed |