Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | GAA | P10253 | 5/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.39 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARD | Q03181 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4459302 | 0.79 | ALOX15 (0.42) | ALDH1A1MAPTGAAKMT2AHPGD | |
| SCHEMBL24038795 | 0.77 | ALOX15 (0.41) | ALDH1A1MAPTGAAKMT2AHPGD | |
| SCHEMBL891837 | 0.76 | XDH (0.65) | XDHALDH1A1MAPTGAAKMT2A | |
| SCHEMBL29929036 | 0.76 | XDH (0.65) | XDHALDH1A1MAPTGAAKMT2A | |
| SCHEMBL17295058 | 0.76 | TAS1R3 (0.37) | ALDH1A1MAPTHPGDHSD17B10CYP3A4 | |
| SCHEMBL2431475 | 0.75 | ESR1 (0.63) | XDHALDH1A1MAPTGAAKMT2A | |
| SCHEMBL6989183 | 0.75 | ALDH1A1 (0.51) | XDHALDH1A1MAPTGAAKMT2A | |
| SCHEMBL11739093 | 0.74 | CYP1A2 (0.34) | PTGS1 | |
| SCHEMBL7045264 | 0.74 | SLC6A4 (0.33) | LMNAAR | |
| SCHEMBL2712117 | 0.74 | L3MBTL1 (0.33) | ALDH1A1MAPTHPGDLMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0730452-A4 | HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS | HOECHST ROUSSEL PHARMA (US) | 1997-03-19 | — | — | EP | disclosed |
| EP-0730452-A1 | HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS | HOECHST MARION ROUSSEL, Inc. (US) | 1996-09-11 | — | — | EP | disclosed |