Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 3/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PGK1 | P00558 | 1/20 | 0.31 |
| ▸ | PGK2 | P07205 | 1/20 | 0.31 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.31 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.31 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2823641 | 0.81 | RORC (0.43) | ALDH1A1TRPA1TSHRTAAR1IDO1 | |
| SCHEMBL8436560 | 0.81 | ESR1 (0.50) | ALDH1A1TRPA1TSHRTAAR1IDO1 | |
| SCHEMBL16875453 | 0.81 | TRPA1 (0.40) | ALDH1A1TRPA1TSHRTAAR1IDO1 | |
| SCHEMBL4229 | 0.80 | TAAR1 (0.54) | ALDH1A1TRPA1TSHRTAAR1IDO1 | |
| SCHEMBL16880438 | 0.77 | ALDH1A1 (0.37) | ALDH1A1TRPA1TSHRTAAR1IDO1 | |
| SCHEMBL15603600 | 0.77 | PDE2A (0.47) | ALDH1A1TRPA1TSHRTAAR1IDO1 | |
| SCHEMBL1512233 | 0.77 | NR1H3 (0.52) | — | |
| SCHEMBL16446207 | 0.76 | ALDH1A1 (0.40) | ALDH1A1TRPA1TSHRTAAR1IDO1 | |
| SCHEMBL15201569 | 0.76 | ALDH1A1 (0.40) | ALDH1A1TRPA1TSHRTAAR1IDO1 | |
| SCHEMBL2273601 | 0.74 | MAOB (0.57) | TAAR1IDO1PTPN1GSK3BMAOB |
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-0592306-A2 | 19F-MRI Contrast medium | TERUMO KABUSHIKI KAISHA (JP) | 1994-04-13 | — | — | EP | disclosed |