Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 1/20 | 0.53 |
| ▸ | RXRB | P28702 | 1/20 | 0.53 |
| ▸ | RXRG | P48443 | 1/20 | 0.53 |
| ▸ | PTPN5 | P54829 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.42 |
| ▸ | ABL1 | P00519 | 2/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.42 |
| ▸ | BCR | P11274 | 2/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10598462 | 0.95 | RXRA (0.55) | RXRARXRBRXRGPTPN5MEN1 | |
| SCHEMBL597362 | 0.92 | PTPN5 (0.49) | RXRARXRBRXRGPTPN5MEN1 | |
| SCHEMBL29727265 | 0.91 | RXRA (0.65) | RXRARXRBRXRGPTPN5PTGS2 | |
| SCHEMBL5355878 | 0.91 | RXRA (0.65) | RXRARXRBRXRGPTPN5PTGS2 | |
| SCHEMBL13523299 | 0.87 | TAAR1 (0.55) | RXRARXRBRXRGPTPN5TAAR1 | |
| Isopropylbenzene SCHEMBL28491864 | 0.85 | RXRA (0.53) | RXRARXRBRXRGPTPN5PTGS2 | |
| SCHEMBL10022337 | 0.85 | HSD17B1 (0.68) | RXRARXRBRXRGPTPN5MEN1 | |
| SCHEMBL12406121 | 0.85 | TAAR1 (0.62) | RXRARXRBRXRGPTPN5CYP17A1 | |
| SCHEMBL27665946 | 0.85 | PTPN5 (0.46) | RXRARXRBRXRGPTPN5MEN1 | |
| SCHEMBL12919966 | 0.85 | MAOA (0.59) | RXRARXRBRXRGPTPN5MEN1 |
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-114621045-A | Method for synthesizing polyaromatic hydrocarbon from aryl formaldehyde | 长沙资材科技有限公司 | 2022-06-14 | — | — | CN | disclosed |