Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGK1 | P00558 | 1/20 | 0.48 |
| ▸ | ACLY | P53396 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | ERCC1 | P07992 | 2/20 | 0.44 |
| ▸ | ERCC4 | Q92889 | 2/20 | 0.44 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28940593 | 0.85 | IDO1 (0.54) | TP53ERCC1ERCC4P2RX7IDO1 | |
| SCHEMBL11311719 | 0.84 | ALDH1A1 (0.50) | ALDH1A1TP53ERCC1ERCC4P2RX7 | |
| SCHEMBL29419329 | 0.83 | CHRM1 (0.57) | ALDH1A1TP53ERCC1ERCC4P2RX7 | |
| SCHEMBL260512 | 0.83 | CHRM1 (0.57) | ALDH1A1TP53ERCC1ERCC4P2RX7 | |
| SCHEMBL9210610 | 0.83 | SLC6A2 (0.46) | ERCC1ERCC4P2RX7IDO1 | |
| Hydrochloric Acid SCHEMBL2532568 | 0.82 | CHRM1 (0.55) | ALDH1A1TP53ERCC1ERCC4P2RX7 | |
| SCHEMBL586345 | 0.80 | PDPK1 (0.59) | ACLYALDH1A1PDPK1HPGD | |
| SCHEMBL3017863 | 0.80 | MAPK1 (0.52) | ALDH1A1ERCC1ERCC4P2RX7HPGD | |
| SCHEMBL30567601 | 0.80 | PDPK1 (0.59) | ACLYALDH1A1PDPK1HPGD | |
| SCHEMBL31204467 | 0.80 | IDO1 (0.53) | TP53ERCC1ERCC4P2RX7HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4338122-A | MITICIDES, HERBICIDES | UNION CARBIDE CORPORATION (US) | 1982-07-06 | — | — | US | disclosed |
| US-4283348-A | SODIUM ETHOXIDE PROMOTED CYCLIZATION OF LEVULINIC ACID ESTERS | UNION CARBIDE CORPORATION (US) | 1981-08-11 | — | — | US | disclosed |