Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | SIRT1 | Q96EB6 | 3/20 | 0.35 |
| ▸ | CYTH2 | Q99418 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | ALDH2 | P05091 | 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 | |
|---|---|---|---|---|
| SCHEMBL12352206 | 0.85 | GAA (0.61) | GAACYP19A1ALDH1A1HSD17B10MEN1 | |
| SCHEMBL2612450 | 0.81 | GAA (0.50) | GAACYP19A1ALDH1A1HSD17B10MEN1 | |
| SCHEMBL13412701 | 0.79 | GAA (0.44) | GAAALDH1A1HPGDHSD17B10ESR2 | |
| SCHEMBL11208211 | 0.79 | ESR1 (0.48) | GAAALDH1A1HPGDHSD17B10ESR2 | |
| SCHEMBL2614948 | 0.78 | GAA (0.53) | GAAALDH1A1HPGDHSD17B10MEN1 | |
| SCHEMBL11987177 | 0.74 | GAA (0.59) | GAACYP19A1ALDH1A1HPGDHSD17B10 | |
| SCHEMBL571262 | 0.74 | GAA (0.68) | GAACYP19A1ALDH1A1HPGDHSD17B10 | |
| SCHEMBL25723556 | 0.74 | GAA (0.51) | GAAALDH1A1HPGDHSD17B10MEN1 | |
| SCHEMBL2612447 | 0.73 | GAA (0.48) | GAAALDH1A1HSD17B10MEN1KMT2A | |
| SCHEMBL13510765 | 0.73 | GAA (0.45) | GAAALDH1A1HSD17B10MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0033583-B1 | DYESTUFFS COMPRISING TWO 5-MEMBERED HETEROCYCLIC NUCLEI FUSED TO A CENTRAL CYCLOHEXADIENE NUCLEUS, PROCESSES FOR THEIR PREPARATION AND THEIR USE FOR COLOURING SYNTHETIC TEXTILE MATERIALS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1983-10-12 | — | — | EP | disclosed |
| EP-0033583-A1 | Dyestuffs comprising two 5-membered heterocyclic nuclei fused to a central cyclohexadiene nucleus, processes for their preparation and their use for colouring synthetic textile materials | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1981-08-12 | — | — | EP | disclosed |