Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.37 |
| ▸ | SELL | P14151 | 1/20 | 0.37 |
| ▸ | SELP | P16109 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9432668 | 0.95 | CYP1A2 (0.48) | CYP1A2ALDH1A1ALOX15MAPTKDM4E | |
| SCHEMBL27708034 | 0.95 | CYP1A2 (0.48) | CYP1A2ALDH1A1ALOX15MAPTKDM4E | |
| SCHEMBL9432675 | 0.85 | ALDH1A1 (0.46) | CYP1A2ALDH1A1MAPTKDM4ECYP3A4 | |
| SCHEMBL20603255 | 0.85 | CYP1A2 (0.39) | CYP1A2ALDH1A1ALOX15MAPTKDM4E | |
| SCHEMBL34465393 | 0.85 | ALDH1A1 (0.46) | CYP1A2ALDH1A1MAPTKDM4ECYP3A4 | |
| SCHEMBL1988762 | 0.83 | CYP1A2 (0.61) | CYP1A2ALDH1A1ALOX15MAPTKDM4E | |
| SCHEMBL22989 | 0.83 | CYP1A2 (0.61) | CYP1A2ALDH1A1ALOX15MAPTKDM4E | |
| SCHEMBL29445717 | 0.83 | CYP1A2 (0.61) | CYP1A2ALDH1A1ALOX15MAPTKDM4E | |
| SCHEMBL7093585 | 0.82 | ALDH1A1 (0.50) | ALDH1A1ALOX15MAPTKDM4EGAA | |
| SCHEMBL462218 | 0.82 | ALDH1A1 (0.50) | ALDH1A1ALOX15MAPTKDM4EGAA |
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 |
|---|---|---|---|---|---|---|---|
| JP-4211689-A | — | — | None | — | — | JP | disclosed |
| JP-H04211689-A | PREPARATION OF (1S-(1ALPHA,2ALPHA(Z),3ALPHA,4ALPHA))-7-(3-(((((1-OXOHEPTYL) AMINO)ACETYL) AMINO)METHYL)-7-OXABICYCLO(2.2.1)HEPT-2-YL)-5-HEPTENOIC ACID | E R SQUIBB & SONS INC | 1992-08-03 | — | — | JP | disclosed |