Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 1/20 | 0.61 |
| ▸ | PTPN11 | Q06124 | 5/20 | 0.57 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.57 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.57 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.54 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.54 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28745869 | 0.99 | S1PR3 (0.63) | S1PR3PTPN11CYSLTR2CYSLTR1PTPN1 | |
| SCHEMBL732933 | 0.92 | TP53 (0.55) | S1PR3PTPN11CYSLTR2CYSLTR1CYP19A1 | |
| SCHEMBL16430716 | 0.88 | MAPT (0.57) | S1PR3CYSLTR2CYSLTR1CYP19A1MAPT | |
| SCHEMBL9039249 | 0.88 | CYSLTR2 (0.56) | S1PR3PTPN11CYSLTR2CYSLTR1CYP19A1 | |
| SCHEMBL27924546 | 0.88 | CYP19A1 (0.58) | S1PR3PTPN11CYSLTR2CYSLTR1PTPN1 | |
| SCHEMBL3699496 | 0.88 | PTPN11 (0.57) | S1PR3PTPN11CYSLTR2CYSLTR1PTPN1 | |
| SCHEMBL27545224 | 0.87 | CYSLTR2 (0.55) | S1PR3PTPN11CYSLTR2CYSLTR1CYP19A1 | |
| SCHEMBL7970564 | 0.87 | CYP19A1 (0.54) | S1PR3CYSLTR2CYSLTR1CYP19A1MAPT | |
| SCHEMBL27518496 | 0.87 | MAPT (0.59) | S1PR3PTPN11CYSLTR2CYSLTR1CYP19A1 | |
| SCHEMBL13440151 | 0.86 | CYP19A1 (0.52) | S1PR3CYSLTR2CYSLTR1CYP19A1TP53 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001046170-A1 | AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE | ASTRAZENECA AB (SE) | 2001-06-28 | — | — | WO | disclosed |
| WO-2001046171-A1 | AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE | ASTRAZENECA AB (SE) | 2001-06-28 | — | — | WO | disclosed |