Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HMGB1 | P09429 | 2/20 | 0.36 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.36 |
| ▸ | GGT1 | P19440 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31598620 | 0.82 | ALDH1A1 (0.50) | ALDH1A1KMT2AGAAALOX15KDM4E | |
| SCHEMBL20556155 | 0.78 | ALDH1A1 (0.37) | ALDH1A1TDP1KMT2AGAAALOX15 | |
| SCHEMBL8335739 | 0.75 | POLB (0.47) | ALDH1A1TDP1ALOX15KDM4EHPGD | |
| SCHEMBL10578634 | 0.75 | ALDH1A1 (0.51) | ALDH1A1TDP1KMT2AGAAALOX15 | |
| SCHEMBL10958981 | 0.75 | LMNA (0.38) | ALDH1A1TDP1KMT2AGAAHPGD | |
| SCHEMBL1348004 | 0.75 | ALDH1A1 (0.41) | ALDH1A1TDP1KMT2AGAAALOX15 | |
| SCHEMBL26674584 | 0.74 | APLNR (0.37) | ALDH1A1ALOX15HTT | |
| SCHEMBL29354101 | 0.74 | APLNR (0.35) | ALDH1A1TDP1ALOX15PTGS1SMN1; SMN2 | |
| SCHEMBL9185287 | 0.73 | ADRA2B (0.38) | ALDH1A1 | |
| Hydrazine SCHEMBL27571459 | 0.73 | ALDH1A1 (0.54) | ALDH1A1TDP1KMT2AGAAALOX15 |
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-2008096129-A1 | NITROGEN CONTAINING HETROCYCLIC COMPOUNDS USEFUL AS BIFUNCTIONAL MODULATORS OF M3 RECEPTORS AND BETA- 2 RECEPTORS | ARGENTA DISCOVERY LTD (GB) | 2008-08-14 | — | — | WO | disclosed |