Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CRHBP | P24387 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.34 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL27625435 | 0.80 | NOTUM (0.44) | ALDH1A1TDP1CYP1A2CYP3A4MEN1 | |
| Benzene SCHEMBL27686656 | 0.79 | — | — | |
| Naphthalene SCHEMBL29142822 | 0.78 | CYP2A6 (0.40) | ALDH1A1CYP1A2CYP3A4MAPTCYP2C9 | |
| Toluene SCHEMBL27908305 | 0.77 | LMNA (0.48) | ALDH1A1TDP1KDM4EKMT2ATSHR | |
| Aniline SCHEMBL3525325 | 0.77 | TSHR (0.48) | ALDH1A1TDP1L3MBTL1KDM4ECYP1A2 | |
| Benzenethiol SCHEMBL28357339 | 0.77 | — | — | |
| Benzene SCHEMBL27748340 | 0.77 | — | — | |
| Naphthalene SCHEMBL27769583 | 0.76 | CYP2A6 (0.38) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL29282954 | 0.75 | — | — | |
| Diphenylamine SCHEMBL8355253 | 0.75 | HSD17B10 (0.50) | ALDH1A1TDP1L3MBTL1KDM4ECYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108727256-A | A kind of photosensitizer and the preparation method and application thereof based on the more pyridiniujms of triphenylamine | 华中科技大学 | 2018-11-02 | — | — | CN | claimed |