Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL17529803 | 0.76 | GAA (0.33) | TRPA1CYP2C19TAAR1ALDH1A1SLC6A2 | |
| SCHEMBL6226452 | 0.72 | TAAR1 (0.38) | CYP2C19HIF1AHDAC3HDAC4HDAC1 | |
| SCHEMBL18397 | 0.72 | MAPK1 (0.36) | TSHRHDAC3HDAC4HDAC1HDAC7 | |
| Hydrochloric Acid SCHEMBL22288246 | 0.70 | MAPK1 (0.35) | TSHRHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL29638967 | 0.70 | MAPK1 (0.35) | TSHRHDAC3HDAC4HDAC1HDAC7 | |
| Ethane SCHEMBL28152908 | 0.70 | MAPK1 (0.35) | TSHRHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL18523534 | 0.70 | RIPK1 (0.32) | TRPA1RIPK1 | |
| SCHEMBL28140738 | 0.69 | HDAC3 (0.35) | TSHRCYP2C19HIF1AHDAC3HDAC4 | |
| Methoxymethane SCHEMBL28492208 | 0.67 | MAPK1 (0.37) | TSHRHDAC3HDAC4HDAC1HDAC7 | |
| Toluene SCHEMBL28850535 | 0.65 | ACHE (0.52) | TSHRNPSR1ALDH1A1LMNATDP1 |
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-1996022770-A1 | ANTI-INFLAMMATORY COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1996-08-01 | — | — | WO | disclosed |