Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.52 |
| ▸ | HTR1B | P28222 | 2/20 | 0.51 |
| ▸ | HTR1D | P28221 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | PLK1 | P53350 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL12502652 | 0.84 | NPC1 (0.57) | ALDH1A1SMN1; SMN2HPGDTBXAS1MAOB | |
| SCHEMBL24627423 | 0.82 | KDM4E (0.52) | ALDH1A1SMN1; SMN2HTR1BHTR1DMAOB | |
| SCHEMBL29777973 | 0.82 | KDM4E (0.52) | ALDH1A1SMN1; SMN2HTR1BHTR1DMAOB | |
| SCHEMBL10932269 | 0.81 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2HPGDTBXAS1TSHR | |
| SCHEMBL578734 | 0.81 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2HPGDTBXAS1MAOB | |
| SCHEMBL10065842 | 0.81 | TSHR (0.71) | ALDH1A1HTR1BHTR1DKDM4ELMNA | |
| SCHEMBL5141541 | 0.81 | L3MBTL1 (0.70) | ALDH1A1SMN1; SMN2HPGDHTR1BHTR1D | |
| SCHEMBL15788223 | 0.81 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2HPGDTBXAS1MAOB | |
| SCHEMBL10460818 | 0.80 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2HPGDTBXAS1MAOB | |
| SCHEMBL9629138 | 0.80 | PLK1 (0.73) | ALDH1A1SMN1; SMN2HPGDTBXAS1HTR1B |
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-2022148879-A1 | QUINAZOLINE DERIVATIVES USEFUL AS MODULATORS OF ACKR3 | STICHTING VU (NL) | 2022-07-14 | — | — | WO | disclosed |