Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | CA4 | P22748 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.51 |
| ▸ | BCHE | P06276 | 1/20 | 0.51 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3387165 | 1.00 | CA12 (0.55) | CA12CA1CA2CA4CA9 | |
| SCHEMBL3388206 | 0.83 | L3MBTL1 (0.68) | CA12CA1CA2CA4CHRM2 | |
| SCHEMBL3388638 | 0.83 | L3MBTL1 (0.68) | CA12CA1CA2CA4CHRM2 | |
| SCHEMBL3390640 | 0.83 | CYP1A2 (0.56) | TAAR1KDM4EL3MBTL1ALDH1A1CYP1A2 | |
| SCHEMBL10557535 | 0.79 | CA12 (0.58) | CA12CA1CA2CA4CA9 | |
| SCHEMBL8127992 | 0.79 | BCHE (0.74) | CA12CA1CA2CA4CA9 | |
| SCHEMBL22495461 | 0.79 | BCHE (0.74) | CA12CA1CA2CA4CA9 | |
| SCHEMBL16982019 | 0.78 | L3MBTL1 (0.57) | CA12CA1CA2CA4CA9 | |
| SCHEMBL3244925 | 0.77 | CA1 (0.62) | CA12CA1CA2CA4CA9 | |
| SCHEMBL5681339 | 0.75 | TAAR1 (0.67) | CA12CA1CA2CA4CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1984002-B1 | TRIALKYLSILYLBENZYLAMINOCARBOXYINDOLES, INDAZOLES AND INDOLINES AND THEIR USE IN TREATING CETP-MEDIATED DISORDERS | HOFFMANN LA ROCHE (CH) | 2010-12-22 | — | — | EP | disclosed |
| US-7572823-B2 | Heteroaryl carboxamide compounds | HOFFMANN-LA ROCHE INC. (US) | 2009-08-11 | — | — | US | disclosed |