Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CFTR | P13569 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11210296 | 0.79 | GAA (0.51) | ESR1ESR2MEN1MAPTKMT2A | |
| SCHEMBL571262 | 0.68 | GAA (0.68) | ESR1ESR2MEN1MAPTKMT2A | |
| SCHEMBL12352206 | 0.67 | GAA (0.61) | MEN1MAPTKMT2ACYP3A4SMN1; SMN2 | |
| SCHEMBL27973276 | 0.65 | MEN1 (0.58) | ESR1ESR2MEN1MAPTKMT2A | |
| SCHEMBL5944578 | 0.65 | GAA (0.67) | MEN1MAPTKMT2ACYP3A4SMN1; SMN2 | |
| SCHEMBL7920096 | 0.65 | ALDH1A1 (0.66) | ESR1ESR2MEN1MAPTKMT2A | |
| SCHEMBL2612450 | 0.64 | GAA (0.50) | MEN1MAPTKMT2ACYP3A4SMN1; SMN2 | |
| Dimethyl Phthalate SCHEMBL28758679 | 0.64 | ALDH1A1 (0.72) | MAPTKMT2ACA1CA2CA9 | |
| SCHEMBL2614948 | 0.64 | GAA (0.53) | MEN1MAPTKMT2ACYP3A4SMN1; SMN2 | |
| SCHEMBL2612459 | 0.63 | GAA (0.64) | ESR1ESR2MEN1MAPTKMT2A |
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 |