Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.67 |
| ▸ | CDK9 | P50750 | 1/20 | 0.62 |
| ▸ | ATM | Q13315 | 6/20 | 0.60 |
| ▸ | APAF1 | O14727 | 1/20 | 0.60 |
| ▸ | GAA | P10253 | 5/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.58 |
| ▸ | BRAF | P15056 | 2/20 | 0.56 |
| ▸ | IDE | P14735 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | CASP1 | P29466 | 2/20 | 0.50 |
| ▸ | CASP7 | P55210 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6747493 | 0.85 | ATM (0.65) | BRD4ATMGAAKDM4ENPC1 | |
| SCHEMBL27528806 | 0.83 | GAA (0.60) | BRD4ATMAPAF1GAAKDM4E | |
| SCHEMBL5880576 | 0.81 | CDK9 (0.90) | BRD4CDK9GAAKDM4ELMNA | |
| SCHEMBL16416734 | 0.81 | BRD4 (1.00) | BRD4ATMAPAF1GAAKDM4E | |
| SCHEMBL5166866 | 0.81 | PKM (0.64) | BRD4ATMGAAKDM4ELMNA | |
| SCHEMBL6642431 | 0.80 | BRD4 (0.56) | BRD4CDK9ATMAPAF1GAA | |
| SCHEMBL5167573 | 0.80 | BRD4 (0.51) | BRD4CDK9ATMAPAF1GAA | |
| SCHEMBL5113389 | 0.79 | BRD4 (0.48) | BRD4CDK9ATMAPAF1GAA | |
| SCHEMBL5128028 | 0.79 | BRD4 (0.48) | BRD4CDK9ATMAPAF1GAA | |
| SCHEMBL31193263 | 0.79 | CDK9 (0.60) | BRD4CDK9ATMAPAF1GAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001027119-A2 | SUBSTANCE LIBRARY CONTAINING BICYCLIC IMIDAZO-5-YL-AMINES AND/OR BICYCLIC IMIDAZO-3-YL-AMINES | Grünenthal GmbH (DE) | 2001-04-19 | — | — | WO | claimed |
| WO-2001027119-A2 | SUBSTANCE LIBRARY CONTAINING BICYCLIC IMIDAZO-5-YL-AMINES AND/OR BICYCLIC IMIDAZO-3-YL-AMINES | Grünenthal GmbH (DE) | 2001-04-19 | — | — | WO | disclosed |