Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | AGXT | P21549 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LPL | P06858 | 1/20 | 0.33 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7081736 | 0.89 | — | — | |
| SCHEMBL28656020 | 0.85 | IDO1 (0.44) | IDO1CYP1A2CYP2A6TAAR1ACHE | |
| SCHEMBL28659468 | 0.77 | IDO1 (0.46) | IDO1TAAR1AGXTCHRM2 | |
| SCHEMBL28660906 | 0.75 | TAAR1 (0.41) | IDO1CYP2A6TAAR1CA2CA1 | |
| SCHEMBL28675261 | 0.75 | IDO1 (0.44) | IDO1CYP2A6TAAR1AGXTCHRM2 | |
| SCHEMBL28660909 | 0.75 | IDO1 (0.50) | IDO1TAAR1AGXTMAPTTP53 | |
| SCHEMBL25181504 | 0.74 | CALM1 (0.43) | IDO1CYP2A6TAAR1TDP1TP53 | |
| SCHEMBL31214364 | 0.70 | ACHE (0.47) | IDO1ACHETDP1MAPTCA2 | |
| SCHEMBL28713315 | 0.68 | HTT (0.42) | ALDH1A1 | |
| SCHEMBL174063 | 0.67 | — | — |
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 |