Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.38 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 3/20 | 0.37 |
| ▸ | DDO | Q99489 | 2/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.36 |
| ▸ | GPR3 | P46089 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | PLG | P00747 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28175224 | 0.78 | AOC3 (0.50) | HRH4ALDH1A1HSD17B10TDP1CYP3A4 | |
| SCHEMBL28115418 | 0.75 | FLT3 (0.49) | HRH4ALDH1A1HSD17B10IMPDH2IMPDH1 | |
| SCHEMBL29812052 | 0.75 | ALDH1A1 (0.42) | HRH4ALDH1A1HSD17B10TDP1CYP3A4 | |
| SCHEMBL27889601 | 0.75 | DAO (0.62) | HRH4ALDH1A1IMPDH2IMPDH1KDM4E | |
| SCHEMBL28245245 | 0.75 | NR4A2 (0.43) | HRH4ALDH1A1HSD17B10TDP1CYP3A4 | |
| SCHEMBL12777898 | 0.75 | ALDH1A1 (0.42) | HRH4ALDH1A1HSD17B10TDP1CYP3A4 | |
| SCHEMBL27277840 | 0.75 | DAO (0.62) | HRH4ALDH1A1IMPDH2IMPDH1KDM4E | |
| SCHEMBL1353956 | 0.75 | PARP1 (0.59) | HRH4ALDH1A1HSD17B10TDP1CYP3A4 | |
| SCHEMBL19373476 | 0.75 | DAO (0.62) | ALDH1A1HSD17B10HPGDIMPDH2IMPDH1 | |
| SCHEMBL28245180 | 0.75 | ALDH1A1 (0.42) | HRH4ALDH1A1HSD17B10TDP1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103748095-B | Bicyclic heteroaromatic compounds | MERCK PATENT GMBH (DE) | 2016-11-30 | — | — | CN | disclosed |