Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.34 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7439021 | 0.79 | SCN1A (0.36) | ALDH1A1HPGDUSP2POLBGLA | |
| SCHEMBL7444364 | 0.78 | MAPT (0.40) | ALDH1A1HPGDPOLBGLAEPHX2 | |
| SCHEMBL7446176 | 0.77 | ALDH1A1 (0.40) | ALDH1A1HPGDUSP2GLAEPHX2 | |
| SCHEMBL9130807 | 0.76 | ALDH1A1 (0.46) | ALDH1A1HPGDUSP2POLBGLA | |
| SCHEMBL7445739 | 0.76 | ALDH1A1 (0.39) | ALDH1A1HPGDUSP2POLBGLA | |
| SCHEMBL7370889 | 0.74 | SCN1A (0.44) | ALDH1A1HPGDGLAAKR1B1L3MBTL1 | |
| SCHEMBL11504283 | 0.73 | EPHX2 (0.46) | ALDH1A1HPGDUSP2POLBGLA | |
| SCHEMBL2662144 | 0.73 | ALDH1A1 (0.39) | ALDH1A1HPGDUSP2POLBGLA | |
| SCHEMBL7444302 | 0.73 | NPC1 (0.41) | ALDH1A1HPGDPOLBGLAEPHX2 | |
| SCHEMBL9131019 | 0.73 | TSHR (0.41) | ALDH1A1HPGDUSP2POLBGLA |
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 |
|---|---|---|---|---|---|---|---|
| US-5491149-A | VIRICIDES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-02-13 | — | — | US | disclosed |