Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.59 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.44 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | ANPEP | P15144 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CNR1 | P21554 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL17007872 | 1.00 | HTT (0.59) | HTTPDK1PDK2PDK3PDK4 | |
| SCHEMBL25403697 | 0.86 | ESR1 (0.45) | HTTPDK1PDK2PDK3PDK4 | |
| SCHEMBL18361484 | 0.82 | GABRA1 (0.46) | HTTLMNAHDAC3HDAC1HDAC6 | |
| SCHEMBL23381716 | 0.81 | ESR1 (0.51) | HTTHDAC3HDAC1HDAC6CYP2C9 | |
| SCHEMBL3780674 | 0.80 | PDK1 (0.45) | HTTPDK1PDK2PDK3PDK4 | |
| SCHEMBL1345465 | 0.80 | HTT (0.66) | HTTLMNACYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL28974132 | 0.80 | HTT (0.66) | HTTLMNACYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL17018471 | 0.80 | HTT (0.66) | HTTLMNACYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL29150632 | 0.79 | CNR1 (0.43) | HTTLMNACYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL11529099 | 0.78 | HDAC3 (0.63) | LMNAHDAC3HDAC1HDAC6CYP2C9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114901652-A | Substituted saturated and unsaturated N-heterocyclic carboxamides and related compounds for the treatment of medical disorders | 比亚尔R&D投资股份公司 | 2022-08-12 | — | — | CN | disclosed |
| CN-104822680-B | Imidazopyridine | 安斯泰来制药株式会社 | 2016-10-12 | — | — | CN | disclosed |
| CN-104822680-A | Imidazopyridine compound | ASTELLAS PHARMA INC | 2015-08-05 | — | — | CN | disclosed |
| WO-2010084090-A1 | PYRIDYL-AZA(THIO)XANTHONE SENSITIZER COMPRISING LANTHANIDE(III) ION COMPLEXING COMPOUNDS, THEIR LUMINESCENT LANTHANIDE (III) ION COMPLEXES AND USE THEREOF AS FLUORESCENT LABELS. | CIS BIO INTERNATIONAL (FR) | 2010-07-29 | — | — | WO | disclosed |