Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 1/20 | 0.48 |
| ▸ | RXRB | P28702 | 1/20 | 0.48 |
| ▸ | RXRG | P48443 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.42 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL11314785 | 0.94 | ALDH1A1 (0.53) | RXRARXRBRXRGPTGS2CHRNB2 | |
| Biphenyl SCHEMBL9065879 | 0.92 | ALDH1A1 (0.50) | RXRARXRBRXRGPTGS2CHRNB2 | |
| SCHEMBL20833031 | 0.92 | PTGS2 (0.58) | RXRARXRBRXRGPTGS2CHRNB2 | |
| SCHEMBL40528 | 0.92 | PTGS2 (0.58) | RXRARXRBRXRGPTGS2CHRNB2 | |
| Isopropylbenzene SCHEMBL6568 | 0.91 | — | — | |
| Isopropylbenzene SCHEMBL8431863 | 0.91 | TAAR1 (0.50) | TAAR1ALDH1A1LMNAADRA2AADRA2C | |
| Isopropylbenzene SCHEMBL11254813 | 0.91 | — | — | |
| Isopropylbenzene SCHEMBL87809 | 0.91 | TAAR1 (0.50) | TAAR1ALDH1A1LMNAADRA2AADRA2C | |
| Isopropylbenzene SCHEMBL27727769 | 0.91 | TAAR1 (0.50) | TAAR1ALDH1A1LMNAADRA2AADRA2C | |
| Isopropylbenzene SCHEMBL3672803 | 0.91 | TAAR1 (0.50) | TAAR1ALDH1A1LMNAADRA2AADRA2C |
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-109134267-B | Synthetic method of aromatic amine compound | 北京大学 | 2020-11-17 | — | — | CN | disclosed |