Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | PYCR1 | P32322 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | AGER | Q15109 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31739253 | 0.74 | CALM1 (0.43) | TAAR1HTR2ACYP2A6IDO1ALDH1A1 | |
| SCHEMBL25263956 | 0.74 | CALM1 (0.43) | TAAR1HTR2ACYP2A6IDO1ALDH1A1 | |
| SCHEMBL3295159 | 0.70 | TAAR1 (0.37) | TAAR1HTR2ACYP2A6IDO1ALDH1A1 | |
| SCHEMBL2517808 | 0.67 | — | — | |
| SCHEMBL626076 | 0.66 | TAAR1 (0.68) | TAAR1HTR2ACYP2A6IDO1ALDH1A1 | |
| SCHEMBL3334615 | 0.66 | CYP2A6 (0.57) | TAAR1HTR2ACYP2A6IDO1ALDH1A1 | |
| Fluoride SCHEMBL28080567 | 0.65 | CYP2A6 (0.47) | TAAR1HTR2ACYP2A6IDO1ALDH1A1 | |
| Lithium Ion SCHEMBL7742851 | 0.65 | CYP2A6 (0.47) | TAAR1HTR2ACYP2A6IDO1ALDH1A1 | |
| SCHEMBL7536 | 0.64 | — | — | |
| Bromobenzene SCHEMBL260235 | 0.64 | ALDH1A1 (0.73) | HTR2ACYP2A6ALDH1A1MAPK1MEN1 |
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-110294776-B | Method for preparing aryl phosphine oxide derivative | 苏州大学 | 2021-12-10 | — | — | CN | disclosed |