Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | CTBP2 | P56545 | 2/20 | 0.40 |
| ▸ | SHBG | P04278 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 2/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 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 | |
|---|---|---|---|---|
| SCHEMBL8746636 | 0.92 | AKR1B1 (0.46) | AKR1B1CTBP2EGFRTDP1ALDH1A1 | |
| SCHEMBL5863279 | 0.87 | PPARA (0.40) | AKR1B1CTBP2EGFR | |
| SCHEMBL7441996 | 0.82 | CTBP2 (0.59) | CTBP2SHBGPTGS2ALDH1A1MAPT | |
| SCHEMBL11467086 | 0.82 | AKR1B1 (0.42) | AKR1B1CTBP2EGFRTDP1ALDH1A1 | |
| SCHEMBL8608644 | 0.81 | LMNA (0.36) | AKR1B1CTBP2SHBGEGFRALDH1A1 | |
| SCHEMBL27645804 | 0.81 | GABRA1 (0.44) | AKR1B1GABRA1GABRB2CTBP2EGFR | |
| SCHEMBL8608485 | 0.81 | PTPN1 (0.42) | AKR1B1CTBP2EGFRTDP1ALDH1A1 | |
| SCHEMBL8610905 | 0.80 | TSHR (0.38) | AKR1B1CTBP2ALDH1A1MAPT | |
| SCHEMBL1137307 | 0.80 | AKR1B1 (0.67) | AKR1B1TDP1 | |
| SCHEMBL9941638 | 0.79 | LIPG (0.43) | AKR1B1CTBP2EGFRTDP1 |
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-1995008531-A1 | ALKYLAMINOALKYL-TERMINATED SULFIDE/SULFONYL-CONTAINING PROPARGYL AMINO-DIOL COMPOUNDS FOR TREATMENT OF HYPERTENSION | G.D. SEARLE & CO. (US) | 1995-03-30 | — | — | WO | disclosed |