Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 4/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.36 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.35 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.33 |
| ▸ | GABRE | P78334 | 1/20 | 0.33 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.33 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23841700 | 0.84 | SLC6A4 (0.38) | SLC6A4SLC6A3MCHR1OPRM1SPHK1 | |
| SCHEMBL21883558 | 0.77 | SLC6A4 (0.38) | SLC6A4SLC6A3OPRM1GPR84SPHK1 | |
| SCHEMBL18879400 | 0.72 | MCHR1 (0.41) | MCHR1OPRM1GPR84CSNK1EADA | |
| SCHEMBL18883066 | 0.72 | SCNN1A (0.39) | OPRM1GPR84SPHK1ADAMAPT | |
| Hydrochloric Acid SCHEMBL5764145 | 0.70 | ADA (0.39) | MCHR1GPR84SLC2A1ADA | |
| SCHEMBL22788762 | 0.69 | SLC2A1 (0.41) | MCHR1OPRM1GPR84SLC2A1ADA | |
| SCHEMBL18869118 | 0.69 | KCNH2 (0.40) | MCHR1GPR84ADA | |
| SCHEMBL23920665 | 0.69 | GPR84 (0.38) | SLC6A4SLC6A3OPRM1GPR84SPHK1 | |
| SCHEMBL22609342 | 0.68 | GPR84 (0.39) | OPRM1GPR84SPHK1MAPT | |
| SCHEMBL22871204 | 0.68 | MCHR1 (0.33) | MCHR1OPRM1GPR84GABRPGABRD |
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-9796708-B2 | Pyrrolo [2,3-B] pyridine CDK9 kinase inhibitors | ABBVIE INC. (US) | 2017-10-24 | — | — | US | disclosed |