Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | GRM7 | Q14831 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9413589 | 0.78 | TDP1 (0.50) | TSHRCYP2D6SRCALDH1A1POLB | |
| Water SCHEMBL27372111 | 0.78 | PTGS2 (0.72) | PTGS2ALOX5TSHRCYP2D6SRC | |
| Water SCHEMBL5314805 | 0.78 | PTGS2 (0.72) | PTGS2ALOX5TSHRCYP2D6SRC | |
| Benzene SCHEMBL27580508 | 0.78 | PTGS2 (0.72) | PTGS2ALOX5TSHRCYP2D6SRC | |
| SCHEMBL1702752 | 0.77 | PTGS2 (0.42) | PTGS2ALOX5TSHRFAAHGRM7 | |
| SCHEMBL11666157 | 0.76 | CXCR1 (0.64) | PTGS2ALOX5TSHRFAAHADRB3 | |
| SCHEMBL28647295 | 0.76 | ALDH1A1 (0.43) | PTGS2ALOX5TSHRFAAHGRM7 | |
| SCHEMBL9678887 | 0.76 | PTGS2 (0.52) | PTGS2ALOX5FAAHCYP2D6SRC | |
| SCHEMBL10602042 | 0.75 | TSHR (0.43) | PTGS2ALOX5TSHRCYP2D6ALDH1A1 | |
| SCHEMBL23581099 | 0.75 | PTGS2 (0.75) | PTGS2ALOX5TSHRCYP2D6SRC |
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 |
|---|---|---|---|---|---|---|---|
| US-4228082-A | FUNGICIDES OR CHEMICAL INTERMIDIATES FOR 1,2,4-TRIAZINONE HERBICIDES | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) | 1980-10-14 | — | — | US | disclosed |
| US-4224226-A | FUNGICIDES BY CONDENSING AN ACYL CYANIDE WITH EITHER A TERTIARY ALCOHOL OR AN ALKENE | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) | 1980-09-23 | — | — | US | disclosed |