Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 3/20 | 0.49 |
| ▸ | DRD2 | P14416 | 2/20 | 0.47 |
| ▸ | HTR2A | P28223 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | THRA | P10827 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | SGPL1 | O95470 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6101336 | 0.83 | HSD17B10 (0.49) | HTR2CDRD2HTR2APOLBHSD17B10 | |
| SCHEMBL6272342 | 0.74 | CYP19A1 (0.57) | HTR2CCYP1A2THRATHRBCYP19A1 | |
| SCHEMBL27919093 | 0.72 | CYP19A1 (0.56) | HTR2CCYP1A2THRATHRBCYP19A1 | |
| SCHEMBL6101887 | 0.72 | HSD17B10 (0.53) | HTR2CDRD2HTR2APOLBHSD17B10 | |
| SCHEMBL11500000 | 0.71 | CYP1A2 (0.44) | CYP1A2CYP19A1 | |
| SCHEMBL18052663 | 0.69 | THRA (0.53) | THRATHRBSGPL1S1PR1CYP19A1 | |
| SCHEMBL8756180 | 0.69 | CYP19A1 (0.58) | HTR2CCYP1A2CYP19A1 | |
| SCHEMBL15954361 | 0.69 | THRA (0.52) | THRATHRBSGPL1S1PR1CYP19A1 | |
| SCHEMBL15954358 | 0.69 | THRA (0.52) | THRATHRBSGPL1S1PR1CYP19A1 | |
| SCHEMBL2690407 | 0.67 | CYP1A2 (0.47) | CYP1A2S1PR1CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000064904-A1 | 5,7-BICYCLIC AMIDINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | ASTRAZENECA AB (SE) | 2000-11-02 | — | — | WO | disclosed |