Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 7/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | CASP1 | P29466 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | MPI | P34949 | 1/20 | 0.41 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.41 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | APAF1 | O14727 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | CASP7 | P55210 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8549588 | 0.86 | BRD4 (0.39) | BRD4ALDH1A1SMN1; SMN2CASP1PKM | |
| SCHEMBL8889357 | 0.85 | CYP3A4 (0.42) | L3MBTL1BRD4 | |
| SCHEMBL9372896 | 0.84 | ALDH1A1 (0.47) | L3MBTL1BRD4ALDH1A1SMN1; SMN2CASP1 | |
| SCHEMBL8791127 | 0.79 | BRD4 (0.48) | BRD4ALDH1A1SMN1; SMN2CASP1HPGD | |
| SCHEMBL8708316 | 0.79 | ALDH1A1 (0.36) | L3MBTL1BRD4ALDH1A1SMN1; SMN2CASP1 | |
| SCHEMBL8301100 | 0.77 | ALDH1A1 (0.50) | L3MBTL1BRD4ALDH1A1SMN1; SMN2CASP1 | |
| SCHEMBL9370046 | 0.77 | BRD4 (0.48) | BRD4ALDH1A1SMN1; SMN2CASP1HPGD | |
| SCHEMBL8791051 | 0.74 | BRD4 (0.51) | L3MBTL1BRD4ALDH1A1SMN1; SMN2CASP1 | |
| SCHEMBL9369781 | 0.74 | TNK2 (0.42) | L3MBTL1BRD4ALDH1A1SMN1; SMN2CASP1 | |
| SCHEMBL9369777 | 0.73 | BRD4 (0.50) | BRD4ALDH1A1SMN1; SMN2CASP1HPGD |
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-5837704-A | PREVENTION OR TREATMENT OF AIDS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1998-11-17 | — | — | US | disclosed |
| EP-0745083-B1 | 2-HETEROARYL-5,11-DIHYDRO-6H-DIPYRIDO [3,2-b:2',3'-e][1,4]DIAZEPINES AND THEIR USE IN THE PREVENTION OR TREATMENT OF HIV INFECTION | BOEHRINGER INGELHEIM PHARMA (US) | 1998-05-20 | — | — | EP | disclosed |