Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | PPARD | Q03181 | 3/20 | 0.37 |
| ▸ | PPARA | Q07869 | 3/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17578917 | 0.81 | L3MBTL1 (0.40) | CYP1A2PPARAPPARGHTR2ACYP2D6 | |
| SCHEMBL17765440 | 0.79 | CYP1A2 (0.47) | MEN1KMT2ACYP1A2TDP1TP53 | |
| SCHEMBL17765438 | 0.79 | CYP1A2 (0.47) | MEN1KMT2ACYP1A2TDP1TP53 | |
| SCHEMBL3276111 | 0.79 | MEN1 (0.51) | MEN1KMT2ARELACYP1A2PPARD | |
| SCHEMBL8740782 | 0.79 | MEN1 (0.51) | MEN1KMT2ARELACYP1A2PPARD | |
| SCHEMBL4830721 | 0.79 | MEN1 (0.60) | MEN1KMT2ACYP1A2TDP1TP53 | |
| SCHEMBL28767592 | 0.78 | MEN1 (0.50) | MEN1KMT2ARELACYP1A2PPARD | |
| SCHEMBL3960504 | 0.77 | MEN1 (0.49) | MEN1KMT2ARELACYP1A2TSHR | |
| SCHEMBL3960502 | 0.77 | MEN1 (0.49) | MEN1KMT2ARELACYP1A2TSHR | |
| SCHEMBL28250418 | 0.77 | POLB (0.44) | MEN1KMT2ARELACYP1A2CYP2C9 |
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-109678902-B | Organic catalyst with rigid spiro [ indan-1, 2' -pyrrolidine ] skeleton, ligand, synthesis and application | 北京师范大学 | 2020-05-15 | — | — | CN | disclosed |