Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | METAP1 | P53582 | 2/20 | 0.46 |
| ▸ | CCR1 | P32246 | 2/20 | 0.46 |
| ▸ | CCR5 | P51681 | 2/20 | 0.46 |
| ▸ | CCR8 | P51685 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.46 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6290 | 0.96 | KDM4E (0.50) | CA12CA1CA2CA9CYP2A6 | |
| SCHEMBL29443808 | 0.96 | KDM4E (0.50) | CA12CA1CA2CA9CYP2A6 | |
| SCHEMBL16381817 | 0.94 | CYP2A6 (0.48) | CA12CA1CA2CA9CYP2A6 | |
| SCHEMBL31631020 | 0.94 | CYP2A6 (0.48) | CA12CA1CA2CA9CYP2A6 | |
| SCHEMBL29144944 | 0.89 | CA12 (0.45) | CA12CA1CA2CA9CYP2A6 | |
| SCHEMBL2625141 | 0.81 | CYP2A6 (0.47) | CA12CA1CA2CA9CYP2A6 | |
| Dipyridyl SCHEMBL29022230 | 0.81 | KDM4E (0.47) | CA12CA1CA2CA9CYP2A6 | |
| SCHEMBL31247782 | 0.80 | CYP11B1 (0.40) | CA12CA1CA2CA9CYP2A6 | |
| SCHEMBL31099420 | 0.80 | CCR1 (0.50) | CYP2A6KDM4ELMNACYP1A2METAP1 | |
| SCHEMBL28903052 | 0.80 | ABL1 (0.46) | CA12CA1CA2CA9CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| US-6242608-B1 | REACTING 4-(PYRIDIN-2-YL)BENZALDEHYDE WITH HYDRAZINE TO FORM 4-(PYRIDIN-2-YL)BENZALDEHYDE HYDRAZONE; CHEMICAL INTERMEDIATE TO AN ANTI-HIV DRUG | SUMIKA FINE CHEMICALS CO., LTD. (JP) | 2001-06-05 | — | — | US | disclosed |