Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | SNCA | P37840 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.32 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17342675 | 1.00 | ALDH1A1 (0.32) | ALDH1A1CYP3A4TSHRTRPV1TP53 | |
| SCHEMBL3681475 | 0.85 | PTPN2 (0.44) | CYP3A4TP53ALOX15PTPN2PTPN1 | |
| SCHEMBL30200170 | 0.83 | UGT2B7 (0.32) | ALDH1A1CYP3A4TSHRTP53APP | |
| SCHEMBL29934831 | 0.73 | TRPC6 (0.32) | CYP3A4TP53ALOX15 | |
| SCHEMBL3678939 | 0.71 | PTPN2 (0.41) | CYP3A4TSHRTP53PTPN2PTPN1 | |
| SCHEMBL30200341 | 0.70 | PTPN2 (0.38) | CYP3A4TSHRTP53PTPN2PTPN1 | |
| SCHEMBL28920408 | 0.65 | TTL (0.44) | — | |
| SCHEMBL29551597 | 0.65 | MAPT (0.40) | ALDH1A1CYP3A4TSHRTP53ALOX15 | |
| SCHEMBL8731622 | 0.65 | MAPT (0.40) | ALDH1A1CYP3A4TSHRTP53ALOX15 | |
| SCHEMBL29922526 | 0.65 | MAPT (0.40) | ALDH1A1CYP3A4TSHRTP53ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| US-9573871-B2 | Stereo controlled synthesis of (E,Z)-dienals via tandem Rh(I) catalyzed propargyl claisen rearrangement | The Florida State University Research Foundation, Inc. (US) | 2017-02-21 | — | — | US | disclosed |