Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 6/20 | 0.46 |
| ▸ | SLC1A5 | Q15758 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.43 |
| ▸ | PTPN2 | P17706 | 3/20 | 0.43 |
| ▸ | PTPN6 | P29350 | 3/20 | 0.43 |
| ▸ | PTPRC | P08575 | 1/20 | 0.43 |
| ▸ | PTPRB | P23467 | 1/20 | 0.43 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.41 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.41 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.41 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18002778 | 0.87 | PTPN1 (0.54) | PTPN1PTPN2PTPN6PTPRCPTPRB | |
| SCHEMBL23673331 | 0.80 | ALDH1A1 (0.53) | TACR1PTPN1PTPN2PTPN6PTPRC | |
| SCHEMBL17141460 | 0.80 | HTR2C (0.51) | SLC1A5PTPN1PTPN2PTPN6PTPRC | |
| SCHEMBL872421 | 0.79 | HTR1A (0.61) | PTGER1POLBMAPTHTR1ADRD2 | |
| SCHEMBL12247630 | 0.78 | ABCB1 (0.43) | TACR1SLC1A5PTGER1MAPTHTR1A | |
| SCHEMBL16406686 | 0.77 | PTPRC (0.45) | SLC1A5PTPN1PTPN2PTPN6PTPRC | |
| SCHEMBL23683173 | 0.76 | LMNA (0.63) | TACR1 | |
| SCHEMBL8507790 | 0.75 | TACR1 (0.49) | TACR1IDO1CACNA1FCACNA1DCACNA1S | |
| SCHEMBL9435408 | 0.75 | SLC1A5 (0.43) | TACR1SLC1A5PTPN1PTGER1HTR1A | |
| SCHEMBL18002701 | 0.74 | POLB (0.49) | TACR1PTPN1PTPN2PTPN6PTPRC |
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-2006014942-A1 | ARYLOXYALKYLAMINE NK-1/SSRI INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-02-09 | — | — | WO | disclosed |