Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPRT1 | P00492 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | CASP1 | P29466 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.42 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL18623482 | 0.84 | CYP3A4 (0.58) | PKMCYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL22142549 | 0.81 | HPRT1 (0.61) | HPRT1PKMCYP3A4TSHRTDP1 | |
| SCHEMBL598701 | 0.78 | CYP1A2 (0.61) | PKMTSHRCYP1A2ALDH1A1KDM4E | |
| SCHEMBL6244226 | 0.78 | HPRT1 (0.73) | HPRT1PKMCYP3A4TSHRTDP1 | |
| SCHEMBL19988141 | 0.78 | HPRT1 (0.59) | HPRT1PKMCYP3A4TSHRTDP1 | |
| SCHEMBL22142698 | 0.78 | HPRT1 (0.63) | HPRT1CYP3A4TSHRTDP1CYP1A2 | |
| SCHEMBL21253810 | 0.76 | ALDH1A1 (0.58) | HPRT1PKMCYP3A4TSHRTDP1 | |
| SCHEMBL11214941 | 0.76 | ALDH1A1 (0.58) | HPRT1PKMCYP3A4TSHRTDP1 | |
| SCHEMBL24795052 | 0.75 | CYP3A4 (0.53) | PKMCYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL24795050 | 0.74 | CYP3A4 (0.52) | CYP3A4TSHRMAPK1TDP1CYP1A2 |
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-113943287-B | Polycyclic aromatic compound and application thereof in electroluminescent device | 清华大学 | 2023-02-03 | — | — | CN | disclosed |
| CN-113943287-A | Polycyclic aromatic compound and application thereof in electroluminescent device | 清华大学 | 2022-01-18 | — | — | CN | disclosed |