Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.43 |
| ▸ | BCDIN3D | Q7Z5W3 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 2/20 | 0.36 |
| ▸ | JAK1 | P23458 | 2/20 | 0.35 |
| ▸ | CDK9 | P50750 | 2/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | SPR | P35270 | 1/20 | 0.33 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.33 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.33 |
| ▸ | MERTK | Q12866 | 1/20 | 0.33 |
| ▸ | GAS6 | Q14393 | 1/20 | 0.33 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | BUB1 | O43683 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29773457 | 1.00 | NR1H2 (0.43) | NR1H2BCDIN3DNAMPTBRD4JAK1 | |
| SCHEMBL23523399 | 1.00 | NR1H2 (0.43) | NR1H2BCDIN3DNAMPTBRD4JAK1 | |
| SCHEMBL23523458 | 0.91 | NR1H2 (0.41) | NR1H2BCDIN3DNAMPTJAK1SPR | |
| SCHEMBL22797242 | 0.88 | BCDIN3D (0.49) | BCDIN3DBRD4JAK1CDK9CCNT1 | |
| SCHEMBL23932281 | 0.87 | ACHE (0.33) | — | |
| SCHEMBL20920053 | 0.87 | ACHE (0.33) | — | |
| SCHEMBL23932279 | 0.87 | ACHE (0.33) | — | |
| SCHEMBL23932284 | 0.87 | ACHE (0.33) | — | |
| SCHEMBL23523211 | 0.86 | NR1H2 (0.38) | NR1H2JAK1JAK2FLT3GPR119 | |
| SCHEMBL20936959 | 0.86 | NR1H2 (0.38) | NR1H2JAK1JAK2FLT3GPR119 |
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-2021216949-A1 | CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 | VANDERBILT UNIVERSITY (US) | 2021-10-28 | — | — | WO | disclosed |
| WO-2021216951-A1 | CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 | VANDERBILT UNIVERSITY (US) | 2021-10-28 | — | — | WO | disclosed |