Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.35 |
| ▸ | CCND1 | P24385 | 1/20 | 0.35 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16933892 | 0.86 | ALDH1A1 (0.45) | ALDH1A1HPGDHTTSMN1; SMN2TSHR | |
| SCHEMBL3793697 | 0.83 | ALDH1A1 (0.52) | ALDH1A1HPGDHTTSMN1; SMN2TSHR | |
| SCHEMBL8776520 | 0.82 | ALDH1A1 (0.50) | ALDH1A1HPGDHTTSMN1; SMN2TSHR | |
| SCHEMBL6795825 | 0.80 | KDM4E (0.54) | ALDH1A1HPGDHTTSMN1; SMN2KDM4E | |
| SCHEMBL29755815 | 0.80 | KDM4E (0.54) | ALDH1A1HPGDHTTSMN1; SMN2KDM4E | |
| SCHEMBL1607703 | 0.80 | ALDH1A1 (0.77) | ALDH1A1HPGDHTTSMN1; SMN2KDM4E | |
| SCHEMBL4726054 | 0.80 | ALDH1A1 (0.48) | ALDH1A1HPGDHTTSMN1; SMN2TSHR | |
| SCHEMBL8057330 | 0.80 | ALDH1A1 (0.48) | ALDH1A1HPGDHTTSMN1; SMN2TSHR | |
| SCHEMBL2098846 | 0.80 | HPGD (0.48) | ALDH1A1HPGDHTTSMN1; SMN2TSHR | |
| SCHEMBL7992730 | 0.80 | ALDH1A1 (0.48) | ALDH1A1HPGDHTTSMN1; SMN2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016100823-A1 | DOPAMINE D2 RECEPTOR LIGANDS | THE BROAD INSTITUTE, INC. (US) | 2016-06-23 | — | — | WO | disclosed |
| WO-2016100940-A1 | DOPAMINE D2 RECEPTOR LIGANDS | THE BROAD INSTITUTE, INC. (US) | 2016-06-23 | — | — | WO | disclosed |