Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.77 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.77 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.77 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.77 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.77 |
| ▸ | HPGD | P15428 | 2/20 | 0.77 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.77 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.77 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.77 |
| ▸ | PKM | P14618 | 2/20 | 0.77 |
| ▸ | MAPT | P10636 | 1/20 | 0.77 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.77 |
| ▸ | IDO1 | P14902 | 4/20 | 0.75 |
| ▸ | GAA | P10253 | 4/20 | 0.66 |
| ▸ | GFER | P55789 | 1/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL9412335 | 0.88 | ALDH1A1 (0.66) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL20817457 | 0.88 | KDM4E (1.00) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7564170 | 0.83 | GAA (0.76) | ALDH1A1KDM4EHPGDTDP1PKM | |
| SCHEMBL30434229 | 0.83 | GAA (0.76) | ALDH1A1KDM4EHPGDTDP1PKM | |
| SCHEMBL806437 | 0.83 | GAA (0.76) | ALDH1A1KDM4EHPGDTDP1PKM | |
| SCHEMBL16358438 | 0.82 | KDM4E (0.69) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2788247 | 0.80 | CA1 (0.70) | ALDH1A1PKMIDO1GAAGFER | |
| SCHEMBL28403615 | 0.80 | ALDH1A1 (0.83) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28403159 | 0.80 | CYP1A2 (0.83) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11161395 | 0.80 | ALDH1A1 (1.00) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6 |
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-108276305-B | Mild method for preparing Sudan red I structural analogue | 江西理工大学 | 2020-07-31 | — | — | CN | claimed |
| CN-108276305-B | Mild method for preparing Sudan red I structural analogue | 江西理工大学 | 2020-07-31 | — | — | CN | disclosed |