Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | FAAH | O00519 | 2/20 | 0.50 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL17883174 | 0.91 | TSHR (0.46) | TSHRFAAHTRPV1ALDH1A1MAPT | |
| SCHEMBL3456820 | 0.91 | TSHR (0.46) | TSHRFAAHTRPV1ALDH1A1MAPT | |
| SCHEMBL2733852 | 0.91 | TSHR (0.46) | TSHRFAAHTRPV1ALDH1A1MAPT | |
| SCHEMBL11503677 | 0.91 | TSHR (0.46) | TSHRFAAHTRPV1ALDH1A1MAPT | |
| SCHEMBL2497118 | 0.91 | — | — | |
| SCHEMBL25918920 | 0.91 | TSHR (0.46) | TSHRFAAHTRPV1ALDH1A1MAPT | |
| SCHEMBL2493666 | 0.89 | — | — | |
| Ethylene SCHEMBL10656454 | 0.84 | HIF1A (0.43) | TSHRFAAHTRPV1MAPTCYP1A2 | |
| SCHEMBL543961 | 0.81 | — | — | |
| Propionaldehyde SCHEMBL27487932 | 0.80 | TSHR (0.46) | TSHRFAAHTRPV1ALDH1A1MAPT |
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-3235798-B1 | METHOD OF PRODUCING ALIPHATIC ALDEHYDE COMPOUND HAVING TERMINAL CONJUGATED DIENE STRUCTURE AND INTERMEDIATE THEREFOR | SHINETSU CHEMICAL CO (JP) | 2018-11-07 | — | — | EP | disclosed |