Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.50 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL13141364 | 0.86 | SMN1; SMN2 (0.50) | CA1CA2MAPTGAASMN1; SMN2 | |
| SCHEMBL104611 | 0.85 | SMN1; SMN2 (0.67) | CA12CA1CA2CA9MAPT | |
| SCHEMBL13989319 | 0.82 | GAA (0.73) | CA12CA1CA2CA9MAPT | |
| SCHEMBL14237971 | 0.82 | TSHR (0.76) | CA12CA1CA2CA9MAPT | |
| SCHEMBL28441128 | 0.80 | MAPT (0.56) | CA12CA1CA2CA9MAPT | |
| SCHEMBL8643836 | 0.79 | SMN1; SMN2 (0.57) | CA12CA1CA2CA9MAPT | |
| SCHEMBL8648800 | 0.79 | SMN1; SMN2 (0.57) | CA12CA1CA2CA9MAPT | |
| SCHEMBL4579197 | 0.79 | SMN1; SMN2 (0.57) | CA12CA1CA2CA9MAPT | |
| SCHEMBL11989525 | 0.79 | ALDH1A1 (0.53) | CA12CA1CA2CA9MAPT | |
| SCHEMBL28897295 | 0.79 | MAPT (0.64) | CA12CA1CA2CA9MAPT |
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-2008079346-A1 | 5-CYAN0-4- (PYRROLO [2, 3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-07-03 | — | — | WO | disclosed |