Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | GLA | P06280 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.31 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8404367 | 0.73 | AHR (0.40) | PARP1P2RX7AHRHTR1DHTR1B | |
| SCHEMBL4572244 | 0.72 | AHR (0.50) | AHRRHEB | |
| SCHEMBL13820047 | 0.71 | P2RX7 (0.40) | PARP1P2RX7AHRMTNR1AMTNR1B | |
| SCHEMBL16366637 | 0.70 | MTNR1A (0.36) | P2RX7KDM4EGLAHSD17B10KMT2A | |
| SCHEMBL724626 | 0.69 | AHR (0.38) | PARP1P2RX7AHRALDH1A1KDM4E | |
| SCHEMBL8995172 | 0.69 | AHR (0.52) | PARP1P2RX7AHRHTR1DHTR1B | |
| SCHEMBL28142795 | 0.69 | AHR (0.38) | PARP1P2RX7AHRMTNR1AMTNR1B | |
| SCHEMBL2976758 | 0.69 | AHR (0.38) | PARP1P2RX7AHRHTR1DHTR1B | |
| SCHEMBL31005469 | 0.69 | P2RX7 (0.38) | PARP1P2RX7AHRALDH1A1KDM4E | |
| SCHEMBL2120711 | 0.69 | PARP1 (0.40) | PARP1P2RX7AHRDYRK1AHTR1D |
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-105492434-B | Miscellaneous bicyclic aryl RORC2 inhibitor and its application method | 辉瑞大药厂 | 2018-02-16 | — | — | CN | disclosed |