Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL115193 | 0.93 | TP53 (0.38) | ALOX12TP53KDM4EALDH1A1GAA | |
| SCHEMBL11128894 | 0.84 | ESR1 (0.34) | TP53ESR1ESR2 | |
| Diphenylamine SCHEMBL7525400 | 0.81 | HSD17B10 (0.48) | ALOX12CYP1A2KDM4EALDH1A1GAA | |
| SCHEMBL11200862 | 0.80 | KIF11 (0.41) | CYP1A2KDM4EALDH1A1HPGDESR1 | |
| SCHEMBL707866 | 0.80 | ESR1 (0.40) | ESR1ESR2 | |
| SCHEMBL6748571 | 0.79 | TP53 (0.38) | TP53KDM4EALDH1A1 | |
| SCHEMBL6751471 | 0.77 | ALDH1A1 (0.43) | CYP1A2KDM4EALDH1A1TDP1 | |
| SCHEMBL15209480 | 0.77 | — | — | |
| Naphthalene SCHEMBL28055820 | 0.75 | CYP2A6 (0.44) | CYP2A6ALOX12CYP1A2TP53KDM4E | |
| SCHEMBL8693286 | 0.75 | LTA4H (0.52) | HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-105418927-A | Low dielectric constant material film and preparation method thereof | SHANGHAI ADVANCED RES INST CAS | 2016-03-23 | — | — | CN | disclosed |
| CN-105418926-A | Fluorine-containing naphthalene ethyl silicon resin, preparation method and applications thereof | SHANGHAI ADVANCED RES INST CAS | 2016-03-23 | — | — | CN | disclosed |