Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | ATM | Q13315 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | LTA4H | P09960 | 2/20 | 0.44 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | MPO | P05164 | 1/20 | 0.41 |
| ▸ | AGXT | P21549 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL23045757 | 0.86 | ALDH1A1 (0.58) | ALDH1A1CYP2D6ATMLMNASMN1; SMN2 | |
| Ammonia Solution, Strong SCHEMBL25279198 | 0.84 | ALDH1A1 (0.56) | ALDH1A1CYP2D6ATMLMNASMN1; SMN2 | |
| SCHEMBL2144249 | 0.83 | ALDH1A1 (0.51) | ALDH1A1CYP2D6ATMLMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL7522555 | 0.80 | ALDH1A1 (0.68) | ALDH1A1CYP2D6ATMLMNASMN1; SMN2 | |
| SCHEMBL28729752 | 0.79 | ALDH1A1 (0.58) | ALDH1A1CYP2D6ATMLMNASMN1; SMN2 | |
| SCHEMBL29433996 | 0.79 | ALDH1A1 (0.58) | ALDH1A1CYP2D6ATMLMNASMN1; SMN2 | |
| SCHEMBL9535888 | 0.77 | ALDH1A1 (0.51) | ALDH1A1CYP2D6ATMLMNASMN1; SMN2 | |
| SCHEMBL1743766 | 0.77 | PDE3B (0.54) | ALDH1A1CYP2D6ATMLMNASMN1; SMN2 | |
| SCHEMBL29999550 | 0.77 | ALDH1A1 (0.54) | ALDH1A1CYP2D6ATMLMNASMN1; SMN2 | |
| SCHEMBL26131691 | 0.77 | ALDH1A1 (0.54) | ALDH1A1CYP2D6ATMLMNASMN1; SMN2 |
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-109651358-A | 4-aminopyridine derivative, its pharmaceutical composition, preparation method and application | 上海迪诺医药科技有限公司 | 2019-04-19 | — | — | CN | disclosed |
| CN-102770426-B | As compound and the composition of kinases inhibitor | NOVARTIS AG (CH) | 2016-03-23 | — | — | CN | disclosed |