Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSMD14 | O00487 | 1/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9442761 | 0.76 | RAD52 (0.40) | PSMD14RAD52KDM4EALDH1A1PKM | |
| SCHEMBL11528687 | 0.73 | KDM4E (0.40) | PSMD14RAD52KDM4EALDH1A1PKM | |
| SCHEMBL11916707 | 0.72 | HDAC8 (0.31) | ALDH1A1 | |
| SCHEMBL11440959 | 0.69 | NPSR1 (0.36) | PSMD14RAD52KDM4EALDH1A1PKM | |
| SCHEMBL10391373 | 0.69 | SMN1; SMN2 (0.35) | PSMD14RAD52KDM4EALDH1A1PKM | |
| SCHEMBL11038499 | 0.69 | RAD52 (0.34) | RAD52KDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL12707196 | 0.68 | TSHR (0.35) | ALDH1A1 | |
| SCHEMBL9623076 | 0.67 | KMT2A (0.35) | PSMD14RAD52KDM4EALDH1A1PKM | |
| SCHEMBL11689059 | 0.67 | USP2 (0.42) | PSMD14RAD52KDM4EALDH1A1PKM | |
| SCHEMBL3301154 | 0.66 | FFAR4 (0.35) | PSMD14RAD52KDM4EALDH1A1PKM |
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-20100305330-A1 | Process for preparing 2-alkyl-3-halo-6-nitrilpyridine and its carboxylic acid and ester derivatives | Synergetica Changzhou Chemical Company (CN) | 2010-12-02 | — | — | US | disclosed |