Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.37 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.37 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.37 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.35 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 2/20 | 0.34 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | THRA | P10827 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL96898 | 0.90 | TSHR (0.50) | TSHRLIPGTRPV1FAAHCYP3A4 | |
| SCHEMBL910692 | 0.87 | GABRA1 (0.39) | TSHRGABRA1GABRB2CYP4F2CYP4A11 | |
| Butanal SCHEMBL4563898 | 0.87 | ALDH1A1 (0.38) | TSHRGABRA1GABRB2CYP4F2CYP4A11 | |
| SCHEMBL29155607 | 0.82 | CYP4F2 (0.46) | CYP4F2CYP4A11LIPGHIF1AMGLL | |
| SCHEMBL3345733 | 0.82 | TSHR (0.44) | TSHRLIPGTRPV1FAAHCYP3A4 | |
| SCHEMBL2181212 | 0.82 | TAAR1 (0.50) | TSHRALDH1A1 | |
| SCHEMBL30845912 | 0.82 | TSHR (0.44) | TSHRLIPGTRPV1FAAHCYP3A4 | |
| SCHEMBL8076232 | 0.82 | TLR8 (0.45) | TSHRGABRA1GABRB2CYP4F2CYP4A11 | |
| SCHEMBL3693829 | 0.80 | LIPG (0.50) | TSHRLIPGTRPV1THRATHRB | |
| Butanal SCHEMBL4564169 | 0.79 | ALDH1A1 (0.38) | TSHRCYP4F2CYP4A11LIPGCYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070072789-A1 | 2-Methyl-5-phenylpentanal used as a rose odoriferous substance | SYMRISE GMBH & CO. KG (DE) | 2007-03-29 | — | — | US | disclosed |
| US-4415572-A | CARDIOTONIC AND INOTROPIC AGENTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1983-11-15 | — | — | US | disclosed |