Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | CASP6 | P55212 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
| ▸ | HMGCR | P04035 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.34 |
| ▸ | TUBB | P07437 | 1/20 | 0.34 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.34 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.34 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.34 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.34 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.34 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22019510 | 1.00 | CASP1 (0.44) | CASP1KDM4ELMNAPOLBCASP6 | |
| SCHEMBL454405 | 0.82 | CASP1 (0.39) | CASP1KDM4ELMNAPOLBCASP6 | |
| SCHEMBL454407 | 0.82 | CASP1 (0.39) | CASP1KDM4ELMNAPOLBCASP6 | |
| SCHEMBL29090092 | 0.82 | CASP1 (0.39) | CASP1KDM4ELMNAPOLBCASP6 | |
| SCHEMBL6446649 | 0.81 | CASP1 (0.48) | CASP1KDM4ELMNAPOLBCASP6 | |
| Hydrochloric Acid SCHEMBL6307103 | 0.80 | CASP1 (0.38) | CASP1KDM4ELMNAPOLBCASP6 | |
| SCHEMBL15344223 | 0.80 | TDP1 (0.50) | ALDH1A1CYP3A4SMN1; SMN2TSHRTP53 | |
| Hydrochloric Acid SCHEMBL6307096 | 0.80 | CASP1 (0.38) | CASP1KDM4ELMNAPOLBCASP6 | |
| SCHEMBL12810945 | 0.80 | ALDH1A1 (0.50) | CASP1KDM4ELMNAPOLBCASP6 | |
| SCHEMBL28496142 | 0.80 | ALDH1A1 (0.50) | CASP1KDM4ELMNAPOLBCASP6 |
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-2010015520-A1 | SUBSTITUTED NAPHTHYRIDINES AND USE THEREOF AS MEDICINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-02-11 | — | — | WO | disclosed |