Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA4 | P22748 | 2/20 | 0.40 |
| ▸ | CA6 | P23280 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | MIF | P14174 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10412651 | 0.88 | CYP2D6 (0.54) | CYP2D6NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL11082604 | 0.88 | CYP2D6 (0.54) | CYP2D6NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL534241 | 0.86 | CYP2D6 (0.55) | CYP2D6NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL11241585 | 0.86 | CYP2D6 (0.55) | CYP2D6NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL9014364 | 0.84 | NPC1 (0.52) | CYP2D6NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL1254599 | 0.81 | CYP2D6 (0.49) | CYP2D6NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL6730172 | 0.81 | CA1 (0.47) | CYP2D6NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL10504390 | 0.81 | CA1 (0.47) | CYP2D6NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL4058485 | 0.79 | CA1 (0.44) | CYP2D6NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL19777580 | 0.79 | CYP2D6 (0.42) | CYP2D6NPC1RAB9ASMN1; SMN2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110819451-A | Unsaturated lactones as odorants | 西姆莱斯股份公司 | 2020-02-21 | — | — | CN | disclosed |