Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.35 |
| ▸ | GAPDH | P04406 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.34 |
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CETP | P11597 | 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 | |
|---|---|---|---|---|
| SCHEMBL2363337 | 0.82 | TSHR (0.37) | TSHRTRPA1DDAH1GAPDHMAPT | |
| SCHEMBL2363741 | 0.82 | TSHR (0.37) | TSHRTRPA1DDAH1GAPDHMAPT | |
| SCHEMBL2363818 | 0.81 | TSHR (0.40) | TSHRTRPA1DDAH1GAPDHMAPT | |
| SCHEMBL3806771 | 0.81 | TSHR (0.40) | TSHRTRPA1DDAH1GAPDHMAPT | |
| Hydrochloric Acid SCHEMBL10427892 | 0.75 | — | — | |
| SCHEMBL27743771 | 0.75 | GPR84 (0.42) | MAPTGPR84FFAR1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28070770 | 0.74 | FFAR4 (0.44) | TSHRGPR84FFAR1ALDH1A1LMNA | |
| SCHEMBL16131574 | 0.74 | GPR84 (0.42) | MAPTGPR84SPHK1FFAR1CYP3A4 | |
| Bromide SCHEMBL28619517 | 0.73 | TSHR (0.36) | TSHRALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL28607000 | 0.73 | TSHR (0.36) | TSHRALDH1A1LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6441177-B1 | Tertiary amines | HOFFMANN-LA ROCHE INC. | 2002-08-27 | — | — | US | disclosed |
| EP-0778264-B1 | Tertiary amines having antimycotic and cholesterol lowering activity | HOFFMANN LA ROCHE (CH) | 2001-07-11 | — | — | EP | disclosed |
| US-6034275-A | FUGICIDES; ATICHOLESTEROL AGENTS | HOFFMANN-LA ROCHE INC. (US) | 2000-03-07 | — | — | US | disclosed |
| EP-0778264-A1 | Tertiary amines having antimycotic and cholesterol lowering activity | F. HOFFMANN-LA ROCHE AG (CH) | 1997-06-11 | — | — | EP | disclosed |