Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 4/20 | 0.50 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MITF | O75030 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | TRPM8 | Q7Z2W7 | 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 | |
|---|---|---|---|---|
| SCHEMBL21198157 | 0.77 | CHRNB4 (0.47) | CHRNB4CHRNA3CHRNB2CHRNA4MAPT | |
| SCHEMBL1890902 | 0.75 | NISCH (0.53) | CA2 | |
| SCHEMBL3586040 | 0.75 | CHRNB4 (0.46) | CHRNB4CHRNA3CHRNB2CHRNA4MAPT | |
| SCHEMBL21198154 | 0.75 | NISCH (0.46) | CHRNB4CHRNA3CHRNB2CHRNA4MAPT | |
| SCHEMBL3766653 | 0.74 | RPS6KB2 (0.46) | CHRNB4CHRNA3CHRNB2CHRNA4MAPT | |
| SCHEMBL658161 | 0.72 | CHRNB4 (0.52) | CHRNB4CHRNA3CHRNB2CHRNA4MAPT | |
| SCHEMBL5937114 | 0.72 | CHRNB4 (0.46) | CHRNB4CHRNA3CHRNB2CHRNA4MAPT | |
| SCHEMBL5582716 | 0.72 | CA2 (0.48) | CHRNB4CHRNA3CHRNB2CHRNA4MAPT | |
| SCHEMBL27682747 | 0.71 | MAPT (0.39) | CHRNB4CHRNA3CHRNB2CHRNA4MAPT | |
| SCHEMBL26726922 | 0.71 | MAPT (0.40) | CHRNB4CHRNA3CHRNB2CHRNA4MAPT |
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-1957078-A2 | PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE | Bayer Healthcare, LLC (US) | 2008-08-20 | — | — | EP | disclosed |
| WO-2007064932-A2 | PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE | BAYER HEALTHCARE LLC. (US) | 2007-06-07 | — | — | WO | disclosed |