Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | PARP14 | Q460N5 | 5/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29230461 | 0.86 | ALDH1A1 (0.53) | ALDH1A1KDM4ESMN1; SMN2HPGDMAOA | |
| SCHEMBL6326388 | 0.82 | ALDH1A1 (0.65) | ALDH1A1KDM4ESMN1; SMN2HPGDPARP14 | |
| SCHEMBL19674305 | 0.80 | MAPT (0.39) | ALDH1A1KDM4ESMN1; SMN2HPGDMAOA | |
| SCHEMBL1120987 | 0.76 | CYP3A4 (0.58) | KDM4ECYP3A4GAA | |
| SCHEMBL16429257 | 0.75 | ALDH1A1 (0.57) | ALDH1A1KDM4ESMN1; SMN2HPGDPARP14 | |
| SCHEMBL99181 | 0.75 | ALDH1A1 (0.59) | ALDH1A1KDM4ESMN1; SMN2HPGDMAOA | |
| SCHEMBL29230462 | 0.75 | TDP1 (0.42) | ALDH1A1KDM4ESMN1; SMN2HPGDCYP2C19 | |
| SCHEMBL30842795 | 0.75 | TDP1 (0.42) | ALDH1A1KDM4ESMN1; SMN2HPGDCYP2C19 | |
| Dimethylamine SCHEMBL8610644 | 0.75 | HSD17B10 (0.41) | ALDH1A1KDM4ESMN1; SMN2HPGDCYP2C19 | |
| Water SCHEMBL1131329 | 0.74 | CYP3A4 (0.55) | KDM4ECYP3A4GAA |
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-117700456-A | Arylamine photocatalyst and preparation method thereof, defluorinated mono-bridged ring propeller compound, preparation method and application thereof | 国科大杭州高等研究院 | 2024-03-15 | — | — | CN | claimed |
| CN-117700456-A | Arylamine photocatalyst and preparation method thereof, defluorinated mono-bridged ring propeller compound, preparation method and application thereof | 国科大杭州高等研究院 | 2024-03-15 | — | — | CN | disclosed |