Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | ILK | Q13418 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9536015 | 0.88 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2TSHRHIF1ATP53 | |
| SCHEMBL11772258 | 0.84 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2TSHRHIF1ATP53 | |
| SCHEMBL11767907 | 0.82 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2TSHRHIF1ATP53 | |
| SCHEMBL11772038 | 0.80 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2TSHRTP53MAPT | |
| SCHEMBL11771120 | 0.78 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2TSHRHIF1ATP53 | |
| SCHEMBL11773257 | 0.77 | ILK (0.49) | ALDH1A1SMN1; SMN2TSHRTP53MAPT | |
| SCHEMBL11771216 | 0.76 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2TSHRHIF1ATP53 | |
| SCHEMBL8207167 | 0.76 | SMN1; SMN2 (0.59) | ALDH1A1SMN1; SMN2TSHRHIF1ATP53 | |
| SCHEMBL6815148 | 0.75 | ILK (0.61) | ALDH1A1SMN1; SMN2TSHRTP53MAPT | |
| SCHEMBL11767227 | 0.75 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2TSHRHIF1ATP53 |
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-3940407-A | β-Adrenergic blocking agents in the 1,2,3-thiadiazole series | SYNTEX (U.S.A.) INC. (US) | 1976-02-24 | — | — | US | disclosed |