Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13330280 | 0.90 | ALDH1A1 (0.44) | ALDH1A1HTTNPSR1SMN1; SMN2TDP1 | |
| SCHEMBL508384 | 0.85 | ALDH1A1 (0.39) | ALDH1A1SMN1; SMN2MAPTKMT2AMEN1 | |
| SCHEMBL510340 | 0.85 | PIK3CD (0.39) | ALDH1A1SMN1; SMN2MAPTKMT2ACYP1A2 | |
| SCHEMBL509579 | 0.81 | EIF2AK4 (0.39) | ALDH1A1HTTNPSR1SMN1; SMN2MAPT | |
| SCHEMBL509450 | 0.81 | ALDH1A1 (0.41) | ALDH1A1HTTNPSR1SMN1; SMN2MAPT | |
| SCHEMBL510040 | 0.75 | WNT1 (0.37) | ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2D6 | |
| SCHEMBL509103 | 0.75 | WNT1 (0.37) | ALDH1A1NPSR1SMN1; SMN2MAPTKMT2A | |
| SCHEMBL13330279 | 0.75 | PIK3CA (0.52) | ALDH1A1HTTNPSR1SMN1; SMN2TDP1 | |
| SCHEMBL13329839 | 0.74 | KDM4E (0.44) | ALDH1A1HTTNPSR1SMN1; SMN2TDP1 | |
| SCHEMBL10214988 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010067123-A1 | 2- (PIPERIDIN-1-YL) -4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS | ASTRAZENECA AB (SE) | 2010-06-17 | — | — | WO | disclosed |