Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | GLA | P06280 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22357196 | 0.86 | ALDH1A1 (0.78) | ALDH1A1GLATDP1TP53TSHR | |
| SCHEMBL679937 | 0.86 | ALDH1A1 (0.78) | ALDH1A1GLATDP1TP53TSHR | |
| SCHEMBL9535052 | 0.83 | ALDH1A1 (0.60) | ALDH1A1GLATDP1TP53TSHR | |
| SCHEMBL4098812 | 0.81 | ALDH1A1 (0.62) | ALDH1A1GLATDP1TP53TSHR | |
| SCHEMBL3145765 | 0.81 | ALDH1A1 (0.62) | ALDH1A1GLATDP1TP53TSHR | |
| SCHEMBL4302248 | 0.81 | ALDH1A1 (0.62) | ALDH1A1GLATDP1TP53TSHR | |
| SCHEMBL6894135 | 0.80 | ALDH1A1 (0.70) | ALDH1A1GLATDP1TP53TSHR | |
| SCHEMBL30094656 | 0.80 | ALOX5AP (0.43) | ALDH1A1SMN1; SMN2MEN1KMT2AMAPT | |
| SCHEMBL11869553 | 0.80 | ALOX5AP (0.43) | ALDH1A1SMN1; SMN2MEN1KMT2AMAPT | |
| SCHEMBL24767714 | 0.77 | ALDH1A1 (0.66) | ALDH1A1GLATDP1TP53TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0901459-A1 | CALCILYTIC COMPOUNDS | NPS PHARMACEUTICALS, INC. (US) | 1999-03-17 | — | — | EP | disclosed |
| WO-1997037967-A1 | CALCILYTIC COMPOUNDS | NPS PHARMACEUTICALS, INC. (US) | 1997-10-16 | — | — | WO | disclosed |