Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.47 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.45 |
| ▸ | FEN1 | P39748 | 1/20 | 0.45 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | TYMS | P04818 | 1/20 | 0.41 |
| ▸ | HEXA | P06865 | 2/20 | 0.40 |
| ▸ | HEXB | P07686 | 2/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11544600 | 0.91 | KDM4E (0.51) | TSHRALDH1A1KDM4EERCC1FEN1 | |
| SCHEMBL9624719 | 0.85 | TSHR (0.59) | TSHRALDH1A1GAAHPGDHSD17B10 | |
| SCHEMBL2175176 | 0.71 | CRBN (0.78) | TSHRALDH1A1CYP1A2MCL1 | |
| SCHEMBL11542774 | 0.69 | ERCC1 (0.51) | ALDH1A1KDM4EERCC1FEN1ERCC4 | |
| SCHEMBL11537599 | 0.69 | ERCC1 (0.51) | ALDH1A1KDM4EERCC1FEN1ERCC4 | |
| SCHEMBL11537593 | 0.69 | ERCC1 (0.51) | ALDH1A1KDM4EERCC1FEN1ERCC4 | |
| SCHEMBL27538862 | 0.69 | ALDH1A1 (0.46) | ALDH1A1KDM4EERCC1FEN1ERCC4 | |
| SCHEMBL9585101 | 0.68 | ADRB2 (0.49) | ALDH1A1KDM4EERCC1FEN1ERCC4 | |
| SCHEMBL28594194 | 0.67 | TYMS (0.64) | TSHRALDH1A1KDM4EERCC1FEN1 | |
| SCHEMBL7272095 | 0.67 | ALDH1A1 (0.45) | ALDH1A1KDM4EERCC1FEN1ERCC4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4180579-A | 2-Substituted-1H-benz[de]-isoquinoline-1,3(2H)-diones | E. R. SQUIBB & SONS, INC. (US) | 1979-12-25 | — | — | US | disclosed |
| US-4170651-A | ANTIINFLAMMATORY AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1979-10-09 | — | — | US | disclosed |
| US-4115555-A | ANTIINFLAMMATORY | E. R. SQUIBB & SONS, INC. (US) | 1978-09-19 | — | — | US | disclosed |
| US-4051246-A | ANTIINFLAMMATORY | E. R. SQUIBB & SONS, INC. (US) | 1977-09-27 | — | — | US | disclosed |