Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | MEP1B | Q16820 | 2/20 | 0.44 |
| ▸ | MEP1A | Q16819 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | F2 | P00734 | 1/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8241614 | 0.80 | ALDH1A1 (0.55) | ALDH1A1LMNACYP2C19MEN1KMT2A | |
| SCHEMBL15276914 | 0.79 | LMNA (0.58) | ALDH1A1LMNAMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL15076675 | 0.79 | MEN1 (0.50) | ALDH1A1LMNAMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL15276911 | 0.79 | SIRT2 (0.51) | ALDH1A1LMNAMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL20790417 | 0.79 | LMNA (0.52) | ALDH1A1LMNACYP2C19MEN1KMT2A | |
| SCHEMBL18767163 | 0.78 | ALDH1A1 (0.52) | ALDH1A1LMNACYP2C19MEN1KMT2A | |
| SCHEMBL20790509 | 0.78 | LMNA (0.52) | ALDH1A1LMNACYP2C19MEN1KMT2A | |
| SCHEMBL29399627 | 0.77 | MEN1 (0.65) | ALDH1A1LMNAMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL35185 | 0.77 | MEN1 (0.65) | ALDH1A1LMNAMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL21844938 | 0.77 | LMNA (0.50) | ALDH1A1LMNACYP2C19MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1831198-B1 | PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS | ASTRAZENECA AB (SE) | 2009-04-08 | — | — | EP | disclosed |