Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL765923 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL25235674 | 0.79 | — | — | |
| Trifluoroacetic Acid SCHEMBL28336879 | 0.76 | CA2 (0.47) | TSHRALDH1A1POLBSMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL2435717 | 0.76 | CA2 (0.40) | TSHRALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL12336349 | 0.75 | — | — | |
| Trifluoroacetic Acid SCHEMBL9060237 | 0.74 | ALDH1A1 (0.40) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| Trifluoroacetic Acid SCHEMBL27792400 | 0.73 | CTH (0.34) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL11305037 | 0.72 | — | — | |
| SCHEMBL16058288 | 0.72 | — | — | |
| Trifluoroacetic Acid SCHEMBL29019087 | 0.72 | FUCA1 (0.39) | TSHRALDH1A1POLBSMN1; SMN2 |
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-2763990-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-08-13 | — | — | EP | disclosed |
| WO-2013030138-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-03-07 | — | — | WO | disclosed |