Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.86 |
| ▸ | CASP1 | P29466 | 3/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | PRKCI | P41743 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 6/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.45 |
| ▸ | AR | P10275 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL33808 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL27589678 | 0.91 | PDE10A (0.95) | PDE10ACASP1TSHRALDH1A1TDP1 | |
| Hydrochloric Acid SCHEMBL6518172 | 0.91 | PDE10A (0.95) | PDE10ACASP1TSHRALDH1A1TDP1 | |
| Bromide SCHEMBL4051270 | 0.91 | PDE10A (0.95) | PDE10ACASP1TSHRALDH1A1TDP1 | |
| Bromide SCHEMBL6648299 | 0.88 | PDE10A (0.91) | PDE10ACASP1TSHRALDH1A1TDP1 | |
| Dimethylamine SCHEMBL9109642 | 0.86 | PDE10A (0.86) | PDE10ACASP1TSHRALDH1A1TDP1 | |
| SCHEMBL10594028 | 0.84 | CASP1 (0.83) | PDE10ACASP1TSHRALDH1A1TDP1 | |
| 4-Aminophenol SCHEMBL3775103 | 0.84 | PDE10A (0.83) | PDE10ACASP1TSHRALDH1A1TDP1 | |
| Sulfuric Acid SCHEMBL475938 | 0.83 | PDE10A (0.79) | PDE10ACASP1TSHRALDH1A1TDP1 | |
| Sulfuric Acid SCHEMBL9770168 | 0.83 | PDE10A (0.79) | PDE10ACASP1TSHRALDH1A1TDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101228135-B | Pyridazinone derivatives as thyroid hormone receptor agonists | HOFFMANN LA ROCHE | 2011-08-31 | — | — | CN | disclosed |
| CN-101228135-A | Pyridazinone derivatives as thyroid hormone receptor agonists | HOFFMANN LA ROCHE (CH) | 2008-07-23 | — | — | CN | disclosed |