Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28711805 | 1.00 | TDP1 (0.46) | TDP1CYP3A4ALDH1A1TP53HSD17B10 | |
| SCHEMBL28717318 | 0.89 | PLAU (0.42) | TDP1CYP3A4ALDH1A1TP53HSD17B10 | |
| SCHEMBL28709795 | 0.78 | MKNK1 (0.47) | ALDH1A1MAPTKDM4ESMN1; SMN2 | |
| SCHEMBL28701270 | 0.77 | MAPT (0.35) | TDP1ALDH1A1HSD17B10HSD17B3MEN1 | |
| SCHEMBL6238618 | 0.77 | CYP2D6 (0.38) | TDP1ALDH1A1HSD17B10HSD17B3MEN1 | |
| SCHEMBL28352043 | 0.77 | MGAM (0.44) | TDP1CYP3A4ALDH1A1TP53HSD17B10 | |
| SCHEMBL27626616 | 0.76 | MAOA (0.56) | ALDH1A1HSD17B10HSD17B3MAPTKDM4E | |
| SCHEMBL27764851 | 0.72 | HSD17B3 (0.64) | TDP1CYP3A4ALDH1A1TP53HSD17B10 | |
| SCHEMBL3885051 | 0.71 | — | — | |
| SCHEMBL3883020 | 0.71 | — | — |
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-114213657-A | Intrinsic black polyimide and preparation method and application thereof | 湖南工业大学 | 2022-03-22 | — | — | CN | disclosed |