Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.49 |
| ▸ | KCNJ5 | P48544 | 2/20 | 0.48 |
| ▸ | KCNJ3 | P48549 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.46 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1091961 | 0.88 | PKM (0.64) | PKMCTBP2KCNJ5KCNJ3MAPK8 | |
| Hydrochloric Acid SCHEMBL7827446 | 0.86 | PKM (0.62) | PKMCTBP2KCNJ5KCNJ3MAPK8 | |
| Trifluoroacetic Acid SCHEMBL5657301 | 0.81 | ALDH1A1 (0.46) | MAPK8RAB9ALMNAPTGS2 | |
| Trifluoroacetic Acid SCHEMBL6435984 | 0.81 | TP53 (0.48) | LMNA | |
| Trifluoroacetic Acid SCHEMBL5941732 | 0.80 | TAAR1 (0.67) | CTBP2KCNJ5KCNJ3CYP1A2CYP3A4 | |
| Trifluoroacetic Acid SCHEMBL5658268 | 0.80 | CTBP2 (0.49) | CTBP2MAPK8 | |
| SCHEMBL8676604 | 0.79 | CES1 (0.55) | PKMCTBP2KCNJ5KCNJ3NPC1 | |
| Trifluoroacetic Acid SCHEMBL27625600 | 0.79 | KMT2A (0.47) | CYP2C19RAB9ALMNAHDAC1HDAC6 | |
| Trifluoroacetic Acid SCHEMBL29921868 | 0.78 | TDP1 (0.60) | PKMCYP1A2MAPK8LMNA | |
| Trifluoroacetic Acid SCHEMBL5941843 | 0.78 | TAAR1 (0.53) | CTBP2KCNJ5KCNJ3CYP1A2CYP3A4 |
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-7309701-B2 | Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2007-12-18 | — | — | US | disclosed |