Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | GLA | P06280 | 1/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6245211 | 1.00 | ALDH1A1 (0.61) | ALDH1A1GLATDP1PKMLMNA | |
| SCHEMBL11129204 | 0.87 | ALDH1A1 (0.60) | ALDH1A1GLATDP1PKMLMNA | |
| SCHEMBL10561536 | 0.84 | ALDH1A1 (0.57) | ALDH1A1GLATDP1PKMLMNA | |
| Phosphine SCHEMBL9787417 | 0.83 | ALDH1A1 (0.55) | ALDH1A1GLATDP1PKMLMNA | |
| Phosphine SCHEMBL9787420 | 0.83 | ALDH1A1 (0.55) | ALDH1A1GLATDP1PKMLMNA | |
| SCHEMBL6704543 | 0.82 | ALDH1A1 (0.55) | ALDH1A1GLATDP1PKMLMNA | |
| SCHEMBL3990024 | 0.81 | RIPK1 (0.54) | ADRA2CADRA1ACASRPRMT5WDR77 | |
| SCHEMBL30760512 | 0.80 | ALDH1A1 (0.51) | ALDH1A1GLATDP1PKMLMNA | |
| SCHEMBL679937 | 0.79 | ALDH1A1 (0.78) | ALDH1A1GLATDP1PKMLMNA | |
| SCHEMBL22357196 | 0.79 | ALDH1A1 (0.78) | ALDH1A1GLATDP1PKMLMNA |
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-2005030746-A1 | CALCILYTIC COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2005-04-07 | — | — | WO | disclosed |