Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | CREBBP | Q92793 | 4/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | G6PD | P11413 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | IDH1 | O75874 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22862951 | 0.90 | CREBBP (0.34) | NR1I2CREBBPBRD4ALDH1A1CYP3A4 | |
| SCHEMBL21164449 | 0.86 | HDAC8 (0.42) | CREBBPHDAC8HDAC6BRD4HSD11B1 | |
| SCHEMBL20032328 | 0.78 | HSD11B1 (0.42) | CREBBPBRD4HSD11B1 | |
| SCHEMBL19710938 | 0.76 | MEN1 (0.39) | NR1I2CREBBPBRD4ALDH1A1CYP3A4 | |
| SCHEMBL19557965 | 0.75 | CREBBP (0.39) | CREBBPBRD4HSD11B1 | |
| SCHEMBL22479536 | 0.74 | HDAC4 (0.39) | CREBBPHDAC8BRD4ALDH1A1HPGD | |
| SCHEMBL21164607 | 0.73 | HSD11B1 (0.45) | CREBBPBRD4HSD11B1 | |
| SCHEMBL23718902 | 0.71 | CREBBP (0.35) | CREBBPBRD4CYP3A4ALOX15HIF1A | |
| SCHEMBL24445184 | 0.68 | NR1I2 (0.50) | NR1I2 | |
| SCHEMBL20083457 | 0.68 | NR1I2 (0.50) | NR1I2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019118313-A1 | IMIDAZO [1,2-C] QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | MERCK SHARP & DOHME CORP. (US) | 2019-06-20 | — | — | WO | disclosed |