Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.67 |
| ▸ | ESR1 | P03372 | 4/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 2/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| Vinyl Chloride SCHEMBL7604262 | 0.97 | CYP3A4 (0.63) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Propene SCHEMBL9123148 | 0.83 | CYP3A4 (0.67) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL2875874 | 0.83 | TDP1 (0.67) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL30473456 | 0.82 | CYP3A4 (0.75) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Ethylene SCHEMBL6059825 | 0.82 | TDP1 (0.86) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL1951204 | 0.82 | TDP1 (0.86) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL561726 | 0.82 | TDP1 (0.86) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL9420677 | 0.82 | TDP1 (0.86) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Ethylene SCHEMBL27591890 | 0.82 | TDP1 (0.86) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Ethylene SCHEMBL9097471 | 0.82 | TDP1 (0.86) | CYP3A4TDP1ESR1ESR2KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6248161-B1 | Preparation of permanent color inks from water-soluble colorants using specific phosphonium salts | HEWLETT-PACKARD COMPANY | 2001-06-19 | — | — | US | disclosed |