Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 2/20 | 0.45 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | AKT2 | P31751 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.38 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.38 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.38 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3382818 | 0.86 | CYP3A4 (0.42) | AKT2PIK3CDKCNQ3KCNQ2CYP3A4 | |
| SCHEMBL1732927 | 0.80 | ADRB2 (0.62) | S1PR3S1PR1ADRB2AKT2CYP19A1 | |
| SCHEMBL11538507 | 0.79 | CYP19A1 (0.55) | S1PR3ADRB2CYP19A1PIK3CDKCNQ3 | |
| SCHEMBL13567642 | 0.79 | PIK3CD (0.43) | ADRB2PIK3CDCYP3A4CYP2D6SLC6A2 | |
| SCHEMBL3828644 | 0.79 | PIK3CD (0.43) | ADRB2PIK3CDCYP3A4CYP2D6SLC6A2 | |
| SCHEMBL4165718 | 0.79 | PIK3CD (0.43) | ADRB2PIK3CDCYP3A4CYP2D6SLC6A2 | |
| Hydrochloric Acid SCHEMBL3179658 | 0.78 | ADRB2 (0.59) | S1PR3S1PR1ADRB2AKT2CYP19A1 | |
| SCHEMBL3299158 | 0.76 | KCNQ3 (0.41) | S1PR3CYP19A1KCNQ3KCNQ2KCNE1 | |
| SCHEMBL3297715 | 0.76 | CYP19A1 (0.38) | S1PR3S1PR1ADRB2CYP19A1PIK3CD | |
| SCHEMBL6420457 | 0.76 | CYP3A4 (0.39) | S1PR3S1PR1AKT2CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3209732-B1 | SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS | SCRIPPS RESEARCH INST (US) | 2021-08-04 | — | — | EP | disclosed |