Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | THRA | P10827 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | WNT1 | P04628 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16418027 | 0.90 | LTA4H (0.56) | TP53SMN1; SMN2GAAALDH1A1LTA4H | |
| SCHEMBL12437054 | 0.85 | SMN1; SMN2 (0.47) | SMN1; SMN2LTA4HHSD11B1WNT1GSK3B | |
| SCHEMBL745002 | 0.85 | KCNH2 (0.55) | SMN1; SMN2ALDH1A1LTA4HTHRBMAPT | |
| SCHEMBL24745501 | 0.84 | TP53 (0.51) | TP53SMN1; SMN2GAAALDH1A1LTA4H | |
| SCHEMBL13713492 | 0.84 | GAA (0.53) | TP53SMN1; SMN2GAAALDH1A1THRA | |
| SCHEMBL791727 | 0.84 | LTA4H (0.50) | SMN1; SMN2GAALTA4HHSD11B1WNT1 | |
| SCHEMBL9911420 | 0.83 | TP53 (0.45) | TP53SMN1; SMN2GAAALDH1A1LTA4H | |
| SCHEMBL24745213 | 0.82 | TP53 (0.55) | TP53SMN1; SMN2GAAALDH1A1LTA4H | |
| Hydrochloric Acid SCHEMBL4675628 | 0.82 | LTA4H (0.49) | SMN1; SMN2GAALTA4HHSD11B1WNT1 | |
| SCHEMBL1438744 | 0.82 | SMN1; SMN2 (0.66) | SMN1; SMN2GAAALDH1A1LTA4HHSD11B1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3233799-B1 | DOPAMINE D2 RECEPTOR LIGANDS | BROAD INST INC (US) | 2021-05-19 | — | — | EP | disclosed |
| US-8198458-B2 | Non-nucleoside reverse transcriptase inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-12 | — | — | US | disclosed |
| US-7517998-B2 | Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus | BOEHRINGER INGELHEIM INTERNATIONAL GMBH | 2009-04-14 | — | — | US | disclosed |