Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.44 |
| ▸ | PPARG | P37231 | 2/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.40 |
| ▸ | TACR2 | P21452 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SHBG | P04278 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL10447315 | 0.81 | CYP1A2 (0.55) | CYP1A2GRM2PPARGESR1ADRA2A | |
| Acetic Acid SCHEMBL8471925 | 0.77 | CYP1A2 (0.84) | CYP1A2GRM2PPARGALDH1A1PRKCA | |
| SCHEMBL25940924 | 0.77 | CYP1A2 (0.96) | CYP1A2GRM2PPARGALDH1A1PRKCA | |
| SCHEMBL28537693 | 0.77 | CYP1A2 (0.96) | CYP1A2GRM2PPARGALDH1A1PRKCA | |
| SCHEMBL112484 | 0.77 | CYP1A2 (0.96) | CYP1A2GRM2PPARGALDH1A1PRKCA | |
| SCHEMBL1358227 | 0.77 | CYP1A2 (0.96) | CYP1A2GRM2PPARGALDH1A1PRKCA | |
| SCHEMBL4278956 | 0.76 | CYP1A2 (0.66) | CYP1A2PPARGPRKCA | |
| SCHEMBL9754333 | 0.76 | CYP1A2 (0.60) | CYP1A2PPARGALDH1A1ACHEPRKCA | |
| SCHEMBL3661965 | 0.75 | CYP1A2 (1.00) | CYP1A2GRM2PPARGALDH1A1PRKCA | |
| SCHEMBL7054931 | 0.75 | CYP1A2 (1.00) | CYP1A2GRM2PPARGALDH1A1PRKCA |
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-108601958-A | Pro-perfume compositions | 爱客多有限公司 | 2018-09-28 | — | — | CN | disclosed |