Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 4/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.35 |
| ▸ | PDE2A | O00408 | 2/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 5/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8339203 | 0.72 | KDM4E (0.37) | IDH1PDE10APDE2ABRD4ALDH1A1 | |
| SCHEMBL8300415 | 0.70 | CYP3A4 (0.45) | IDH1BRD4 | |
| SCHEMBL8304233 | 0.69 | ALDH1A1 (0.47) | IDH1BRD4ALDH1A1LMNAPOLB | |
| SCHEMBL8418964 | 0.68 | KDM4E (0.40) | PDE10APDE2ABRD4ALDH1A1LMNA | |
| SCHEMBL8421674 | 0.67 | ALDH1A1 (0.38) | BRD4ALDH1A1KDM4EHPGD | |
| SCHEMBL6073371 | 0.67 | POLB (0.37) | IDH1POLBTDP1SCN9AMAPT | |
| SCHEMBL22188020 | 0.62 | MEN1 (0.38) | ALDH1A1PKMSMN1; SMN2TDP1MAPT | |
| SCHEMBL29520155 | 0.62 | MEN1 (0.38) | ALDH1A1PKMSMN1; SMN2TDP1MAPT | |
| SCHEMBL8790761 | 0.61 | TTR (0.50) | BRD4ALDH1A1HSD17B10 | |
| SCHEMBL8417200 | 0.61 | KDM4E (0.33) | IDH1ALDH1A1KDM4EMAPTHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-5908841-A | 5,11-dihydro-6H-dipyrido 3,2-b:2',3'-e!azepine-6-ones and their use in the prevention of treatment of HIV infection | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1999-06-01 | — | — | US | disclosed |