Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 4/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 3/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.35 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11364695 | 0.97 | MAPT (0.38) | NR1H2NR1H3MEN1USP2MAPT | |
| SCHEMBL11214857 | 0.91 | MAPT (0.41) | MEN1USP2MAPTCASP1BRCA1 | |
| SCHEMBL11368447 | 0.84 | MAPT (0.40) | MEN1USP2MAPTCASP1BRCA1 | |
| SCHEMBL8089080 | 0.82 | BACE1 (0.47) | NR1H2NR1H3MEN1MAPTKMT2A | |
| SCHEMBL11363941 | 0.82 | NR1H2 (0.42) | NR1H2NR1H3MEN1MAPTKMT2A | |
| SCHEMBL17432753 | 0.79 | ME2 (0.47) | MEN1MAPTKMT2ABACE1 | |
| SCHEMBL11215197 | 0.76 | KMT2A (0.42) | NR1H2NR1H3MEN1USP2MAPT | |
| SCHEMBL11206044 | 0.76 | NR1H2 (0.40) | NR1H2NR1H3MAPT | |
| SCHEMBL11211990 | 0.76 | MEN1 (0.35) | MEN1USP2MAPTCASP1BRCA1 | |
| SCHEMBL17430475 | 0.74 | ALKBH3 (0.47) | MEN1MAPTKMT2AMAOB |
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 |