Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.62 |
| ▸ | GMNN | O75496 | 1/20 | 0.62 |
| ▸ | LMNA | P02545 | 1/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | MAPT | P10636 | 1/20 | 0.62 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.62 |
| ▸ | THPO | P40225 | 1/20 | 0.62 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.62 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.62 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.62 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.62 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.48 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.48 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL10324375 | 0.86 | SMN1; SMN2 (0.86) | ALDH1A1SMN1; SMN2GMNNLMNACYP2D6 | |
| SCHEMBL846128 | 0.85 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2GMNNLMNACYP2D6 | |
| SCHEMBL9102354 | 0.84 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2GMNNLMNACYP2D6 | |
| SCHEMBL9122473 | 0.83 | TP53 (0.49) | ALDH1A1SMN1; SMN2GMNNLMNACYP2D6 | |
| Chlorambucil SCHEMBL28694332 | 0.81 | ALDH1A1 (0.82) | ALDH1A1SMN1; SMN2GMNNLMNACYP2D6 | |
| SCHEMBL10482320 | 0.81 | HSD17B10 (0.71) | ALDH1A1SMN1; SMN2MAPTHSD17B10HPGD | |
| SCHEMBL7932826 | 0.81 | CA2 (0.47) | ALDH1A1SMN1; SMN2GMNNLMNACYP2D6 | |
| SCHEMBL11783806 | 0.80 | ESRRG (0.44) | ALDH1A1SMN1; SMN2GMNNLMNACYP2D6 | |
| Chlorambucil SCHEMBL28344179 | 0.80 | SMN1; SMN2 (0.86) | ALDH1A1SMN1; SMN2GMNNLMNACYP2D6 | |
| SCHEMBL11434203 | 0.80 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2GMNNLMNACYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5397781-A | Pyrimidine derivatives | MOCHIDA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1995-03-14 | — | — | US | disclosed |
| EP-0561175-A1 | Pyrimidine derivatives and pharmaceutical compostions containing them | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 1993-09-22 | — | — | EP | disclosed |