Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 14/20 | 0.58 |
| ▸ | ABCB1 | P08183 | 8/20 | 0.52 |
| ▸ | ABCC1 | P33527 | 5/20 | 0.52 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.48 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.48 |
| ▸ | ACACA | Q13085 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | WHR1 | P49842 | 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 | |
|---|---|---|---|---|
| SCHEMBL28054620 | 0.89 | ABCG2 (0.65) | ABCG2ABCB1ABCC1PDE10ATP53 | |
| SCHEMBL8779739 | 0.87 | ABCG2 (0.49) | ABCG2ABCB1ABCC1PDE10ATP53 | |
| SCHEMBL326797 | 0.84 | ABCG2 (0.57) | ABCG2ABCB1ABCC1TP53MAPT | |
| SCHEMBL16404287 | 0.77 | CYP1A2 (0.68) | ABCG2ABCB1ABCC1TP53MAPT | |
| SCHEMBL8779566 | 0.77 | ABCG2 (0.48) | ABCG2ABCB1ABCC1TP53MAPT | |
| SCHEMBL16447012 | 0.76 | ALDH1A1 (0.44) | ABCG2ABCB1ABCC1MAPTSMN1; SMN2 | |
| SCHEMBL16070244 | 0.76 | ABCG2 (0.58) | ABCG2PDE10ATP53MAPTMEN1 | |
| SCHEMBL28054554 | 0.76 | CYP1A2 (0.74) | ABCG2ABCB1TP53MAPTSMN1; SMN2 | |
| SCHEMBL8816999 | 0.76 | ABCG2 (0.47) | ABCG2ABCB1ABCC1MAPTSMN1; SMN2 | |
| SCHEMBL3786521 | 0.76 | ABCG2 (0.47) | ABCG2ABCB1ABCC1TP53MAPT |
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-2023020512-A1 | SUBSTITUTED PYRIDINE ANALOGUE, PREPARATION METHOD THEREFOR, AND USE THEREOF AS AHR MODULATOR | 成都奥睿药业有限公司 | 2023-02-23 | — | — | WO | disclosed |