Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 15/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.39 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8790761 | 0.79 | TTR (0.50) | TTRCES1BRD4ALDH1A1 | |
| SCHEMBL8299917 | 0.75 | TTR (0.40) | TTRCES1BRD4ALDH1A1LMNA | |
| SCHEMBL8299587 | 0.75 | CYP3A4 (0.52) | BRD4ALDH1A1CASP1SMN1; SMN2 | |
| SCHEMBL8299628 | 0.74 | BRD4 (0.45) | CES1BRD4ALDH1A1 | |
| SCHEMBL8889164 | 0.74 | BRD4 (0.44) | TTRCES1BRD4ALDH1A1SMN1; SMN2 | |
| SCHEMBL29582820 | 0.73 | DCLK1 (0.48) | TTRCES1BRD4ALDH1A1LMNA | |
| SCHEMBL8791033 | 0.72 | BRD4 (0.41) | TTRCES1BRD4ALDH1A1LMNA | |
| SCHEMBL9375685 | 0.71 | DRD2 (0.49) | TTRCES1BRD4ALDH1A1DCLK1 | |
| SCHEMBL8789567 | 0.71 | BRD4 (0.46) | TTRCES1BRD4ALDH1A1LMNA | |
| SCHEMBL8790708 | 0.71 | TTR (0.42) | TTRCES1BRD4ALDH1A1DCLK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0429987-B1 | 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) | 1999-03-17 | — | — | EP | claimed |
| EP-0429987-B1 | 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) | 1999-03-17 | — | — | EP | disclosed |