Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 6/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 2/20 | 0.35 |
| ▸ | CRHR1 | P34998 | 3/20 | 0.35 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.34 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14996668 | 0.87 | HSD11B1 (0.53) | PDE2AHSD11B1CRHR1KCNH2 | |
| SCHEMBL859493 | 0.84 | PDE2A (0.46) | PDE2AHSD11B1 | |
| SCHEMBL13076121 | 0.80 | PDE2A (0.43) | PDE2AHSD11B1NPC1RAB9ATP53 | |
| SCHEMBL14996545 | 0.80 | PDE2A (0.43) | PDE2AHSD11B1 | |
| SCHEMBL13076118 | 0.79 | PDE2A (0.43) | PDE2AHSD11B1NPC1RAB9ATP53 | |
| SCHEMBL859848 | 0.77 | PDE2A (0.41) | PDE2AHSD11B1NPC1RAB9ATP53 | |
| SCHEMBL846412 | 0.73 | GRK6 (0.40) | PDE2AHPGDTSHR | |
| SCHEMBL9911401 | 0.71 | ALDH1A1 (0.54) | PDE2AHSD11B1DRD1NPC1RAB9A | |
| SCHEMBL11507014 | 0.71 | NPC1 (0.46) | HSD11B1NPC1RAB9ATP53HPGD | |
| SCHEMBL14996666 | 0.71 | PDE2A (0.41) | PDE2ANPC1RAB9ATDP1BRD4 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |