Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11210076 | 0.87 | CYP2D6 (0.33) | PTGS2KMT2A | |
| SCHEMBL11212002 | 0.84 | CYP19A1 (0.37) | PTGS2KMT2AMAPT | |
| SCHEMBL10089222 | 0.83 | PTGS2 (0.47) | PTGS2KMT2AMAPT | |
| SCHEMBL8083991 | 0.74 | ESR1 (0.49) | PTGS2KMT2AMAPT | |
| SCHEMBL17430489 | 0.72 | PTGS2 (0.42) | PTGS2KMT2AMAPT | |
| SCHEMBL21938054 | 0.72 | APP (0.37) | KMT2AMAPT | |
| SCHEMBL8089080 | 0.71 | BACE1 (0.47) | KMT2AMAPT | |
| SCHEMBL8433324 | 0.70 | ALDH1A1 (0.38) | PTGS2KMT2AMAPT | |
| SCHEMBL11377638 | 0.70 | PTGS2 (0.40) | PTGS2KMT2AMAPT | |
| SCHEMBL17430478 | 0.69 | CYP19A1 (0.51) | PTGS2KMT2AMAPT |
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 |