Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | HMGB1 | P09429 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.50 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | GGT1 | P19440 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.47 |
| ▸ | FEN1 | P39748 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11950516 | 0.87 | ALDH1A1 (0.70) | ALDH1A1ALOX15KDM4EHMGB1HPGD | |
| Phthalic Acid SCHEMBL28536019 | 0.85 | ALDH1A1 (0.61) | ALDH1A1ALOX15KDM4EHMGB1HPGD | |
| SCHEMBL14980978 | 0.82 | AKR1C3 (0.57) | ALDH1A1ALOX15KDM4EHPGDTDP1 | |
| SCHEMBL27467792 | 0.81 | G6PD (0.52) | ALDH1A1ALOX15KDM4EHMGB1HPGD | |
| Phthalic Acid SCHEMBL3030281 | 0.80 | ALDH1A1 (0.67) | ALDH1A1ALOX15KDM4EHMGB1HPGD | |
| SCHEMBL11170734 | 0.80 | ALDH1A1 (0.57) | ALDH1A1ALOX15KDM4EHSD17B10TSHR | |
| Phthalic Acid SCHEMBL2561870 | 0.79 | ALDH1A1 (0.82) | ALDH1A1ALOX15KDM4EHMGB1HPGD | |
| Phthalic Acid SCHEMBL8398555 | 0.79 | ALDH1A1 (0.82) | ALDH1A1ALOX15KDM4EHMGB1HPGD | |
| Phthalic Acid SCHEMBL7897915 | 0.79 | ALDH1A1 (0.82) | ALDH1A1ALOX15KDM4EHMGB1HPGD | |
| Phthalic Acid SCHEMBL30100313 | 0.79 | ALDH1A1 (0.82) | ALDH1A1ALOX15KDM4EHMGB1HPGD |
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-5149688-A | Administering effective amounts of methotrexate and succinylacetone, a seven carbon ketoacid; for rheumatoid arthritis; autoimmune diseases | CETUS CORPORATION (US) | 1992-09-22 | — | — | US | disclosed |
| WO-1991016046-A1 | USE OF ACETOACETYL CARBOXYLIC ACID DERIVATIVES FOR IMMUNOSUPPRESSION | CETUS CORPORATION (US) | 1991-10-31 | — | — | WO | disclosed |