Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | UNG | P13051 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA4 | P22748 | 1/20 | 0.53 |
| ▸ | CA6 | P23280 | 1/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.53 |
| ▸ | TPMT | P51580 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 5/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 3/20 | 0.52 |
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 | |
|---|---|---|---|---|
| 3-Formylbenzoic Acid SCHEMBL6558253 | 0.84 | UNG (0.74) | ALDH1A1TSHRUNGTTRKDM4E | |
| SCHEMBL25176781 | 0.83 | ALDH1A1 (0.71) | ALDH1A1TSHRMAPTSMN1; SMN2HPGD | |
| Benzaldehyde SCHEMBL28453973 | 0.83 | UNG (0.62) | ALDH1A1TSHRUNGCA1CA2 | |
| Methyl Vanillate SCHEMBL1491815 | 0.82 | ALDH1A1 (0.66) | ALDH1A1TSHRCA12CA1CA2 | |
| Benzophenone SCHEMBL29113971 | 0.80 | ALDH1A1 (0.69) | ALDH1A1TSHRMAPTCYP2C9SMN1; SMN2 | |
| Isophthalic Acid SCHEMBL5551894 | 0.80 | KDM4E (0.66) | ALDH1A1TSHRCA12CA1CA2 | |
| SCHEMBL30262601 | 0.80 | KDM4E (0.66) | ALDH1A1TSHRCA12CA1CA2 | |
| SCHEMBL39797 | 0.80 | KDM4E (0.66) | ALDH1A1TSHRCA12CA1CA2 | |
| SCHEMBL29953118 | 0.79 | SMN1; SMN2 (0.71) | ALDH1A1MAPTCYP2C9SMN1; SMN2HSP90AA1 | |
| SCHEMBL21119054 | 0.79 | SMN1; SMN2 (0.71) | ALDH1A1MAPTCYP2C9SMN1; SMN2HSP90AA1 |
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-104394829-B | Reduction of tooth staining from cationic antimicrobial agents | 宝洁公司 | 2017-10-20 | — | — | CN | claimed |
| CN-104394829-B | Reduction of tooth staining from cationic antimicrobial agents | 宝洁公司 | 2017-10-20 | — | — | CN | disclosed |