Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 5/20 | 0.38 |
| ▸ | KDR | P35968 | 5/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | GOT1 | P17174 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MPO | P05164 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | THPO | P40225 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL31146748 | 0.76 | KDM4E (0.52) | LMNACYP1A2CYP2D6EGFRKDR | |
| SCHEMBL147684 | 0.76 | KDM4E (0.52) | LMNACYP1A2CYP2D6EGFRKDR | |
| Hydrochloric Acid SCHEMBL3440483 | 0.74 | KDM4E (0.53) | LMNACYP1A2CYP2D6EGFRKDR | |
| Sulfuric Acid SCHEMBL3440665 | 0.74 | ALDH1A1 (0.43) | LMNACYP1A2CYP2D6HIF1AEGFR | |
| Sulfuric Acid SCHEMBL3440667 | 0.70 | EGFR (0.43) | LMNACYP1A2CYP2D6HIF1AEGFR | |
| SCHEMBL14993997 | 0.68 | ALDH1A1 (0.47) | LMNACYP1A2CYP2D6HIF1AEGFR | |
| SCHEMBL27930312 | 0.67 | ALDH1A1 (0.46) | LMNACYP1A2CYP2D6HIF1AEGFR | |
| Trifluoroacetic Acid SCHEMBL29015415 | 0.66 | C1S (0.62) | LMNACYP1A2CYP2D6HIF1AEGFR | |
| SCHEMBL260660 | 0.65 | KDM4E (0.53) | LMNACYP1A2CYP2D6HIF1AEGFR | |
| SCHEMBL29684247 | 0.64 | EGFR (0.53) | LMNACYP1A2CYP2D6HIF1AEGFR |
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 |
|---|---|---|---|---|---|---|---|
| CN-1871008-A | Triazolo-pyridazine compounds and derivatives thereof useful in the treatment of neuropathic pain | MERCK & CO INC (US) | 2006-11-29 | — | — | CN | disclosed |