Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4016329 | 0.88 | TDP1 (0.42) | ACHEBCHESMN1; SMN2NR1H4ALDH1A1 | |
| SCHEMBL27470803 | 0.83 | ACHE (0.43) | ACHEBCHENR1H4ALDH1A1CYP3A4 | |
| SCHEMBL29000949 | 0.83 | ACHE (0.42) | ACHEBCHESMN1; SMN2NR1H4TDP1 | |
| SCHEMBL11719841 | 0.82 | ALDH1A1 (0.47) | ACHEBCHESMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL28043917 | 0.82 | ALDH1A1 (0.51) | ACHEBCHEALDH1A1TDP1CYP3A4 | |
| SCHEMBL27760985 | 0.81 | RAB9A (0.41) | ACHEBCHESMN1; SMN2ALDH1A1CYP3A4 | |
| SCHEMBL4573467 | 0.81 | ACHE (0.41) | ACHEBCHENR1H4 | |
| SCHEMBL29286667 | 0.80 | ACHE (0.40) | ACHEBCHESMN1; SMN2NR1H4LMNA | |
| SCHEMBL27638014 | 0.80 | ALDH1A1 (0.47) | ACHEBCHESMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL1360931 | 0.79 | ELANE (0.55) | MAPT |
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-105026387-B | Pyridine derivate as soft ROCK inhibitor | REDX制药公开有限公司 | 2018-06-08 | — | — | CN | disclosed |
| CN-105026387-A | Pyridine derivatives as soft rock inhibitors | AMAKEM NV | 2015-11-04 | — | — | CN | disclosed |