Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | XBP1 | P17861 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.30 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | GGPS1 | O95749 | 1/20 | 0.30 |
| ▸ | FDPS | P14324 | 1/20 | 0.30 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21001055 | 0.89 | ALOX15 (0.31) | CYP3A4TP53ALOX15CTNNB1MEN1 | |
| SCHEMBL5199434 | 0.79 | RIPK3 (0.33) | CYP3A4NPC1XBP1HTTRAB9A | |
| SCHEMBL30442155 | 0.77 | CYP3A4 (0.34) | CYP3A4TP53ALOX15MEN1LMNA | |
| SCHEMBL21035809 | 0.77 | CYP3A4 (0.34) | CYP3A4TP53ALOX15MEN1LMNA | |
| SCHEMBL21001305 | 0.74 | CYP3A4 (0.30) | CYP3A4 | |
| Acetic Acid Methyl Ester SCHEMBL1617298 | 0.73 | ALOX15 (0.35) | CYP3A4NPC1XBP1HTTRAB9A | |
| SCHEMBL14982984 | 0.73 | CYP3A4 (0.37) | CYP3A4TP53NR1H4MEN1LMNA | |
| SCHEMBL5201142 | 0.68 | HIF1A (0.30) | — | |
| SCHEMBL30441197 | 0.67 | CYP3A4 (0.33) | CYP3A4TP53MEN1LMNAMAPT | |
| SCHEMBL21001087 | 0.67 | CYP3A4 (0.33) | CYP3A4TP53MEN1LMNAMAPT |
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-2019101814-A2 | SPIRO COMPOUNDS AS MALODOR COUNTERACTING INGREDIENTS | FIRMENICH SA (CH) | 2019-05-31 | — | — | WO | disclosed |