Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 3/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL442070 | 0.85 | CYP1A2 (0.50) | CYP1A2CA12CA1CA2CA7 | |
| Hydrochloric Acid SCHEMBL1093815 | 0.83 | CYP1A2 (0.48) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL16437141 | 0.76 | CYP1A2 (0.36) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL23861312 | 0.76 | GAA (0.47) | ALDH1A1CYP3A4TAAR1KEAP1HTR2A | |
| SCHEMBL12776535 | 0.76 | ACHE (0.52) | ALDH1A1CYP3A4TAAR1KEAP1HTR2A | |
| SCHEMBL27649220 | 0.75 | CYP1A2 (0.35) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL28756671 | 0.74 | PTPN1 (0.44) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL2001235 | 0.74 | CYP3A4 (0.54) | CYP1A2CYP3A4TAAR1PTPN1 | |
| SCHEMBL13828731 | 0.73 | CYP1A2 (0.44) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL20763776 | 0.73 | ADRA2A (0.40) | CYP1A2ADRA1AADRA2A |
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-6127339-A | AND REMOVING IT FROM A BODY FLUID; ABSORBENT COMPRISING A PEPTIDE OF AMINO ACID SEQUENCE WHICH INCLUDES PHENYLALANINE OR TRYPTOPHAN AND ARGININE OR LYSINE, HAS SPECIFIED ELECTRICAL CHARGE, AND IS BONDED TO A WATER INSOLUBLE CARRIER | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 2000-10-03 | — | — | US | disclosed |
| EP-0838472-A1 | PEPTIDES BINDING TO LOW-DENSITY LIPOPROTEINS | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1998-04-29 | — | — | EP | disclosed |