Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.36 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 2/20 | 0.34 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.34 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | NCF1 | P14598 | 1/20 | 0.31 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL29077956 | 1.00 | CYP2D6 (0.37) | CYP2D6DDB1CRBNPIM1PIM3 | |
| Hydrochloric Acid SCHEMBL25431015 | 0.98 | CYP2D6 (0.36) | CYP2D6DDB1CRBNPIM1PIM3 | |
| SCHEMBL32672366 | 0.82 | KDM1A (0.41) | ALDH1A1CYP3A4HPGDCYP2C9HTR2A | |
| SCHEMBL2303349 | 0.81 | CYP2D6 (0.38) | CYP2D6DDB1CRBNCYP2C19ALDH1A1 | |
| SCHEMBL31639255 | 0.79 | PIM1 (0.39) | PIM1PIM3PIM2 | |
| SCHEMBL25696912 | 0.79 | PIM1 (0.39) | PIM1PIM3PIM2 | |
| Hydrochloric Acid SCHEMBL25195831 | 0.77 | PIM1 (0.39) | PIM1PIM3PIM2 | |
| SCHEMBL25343032 | 0.77 | POLB (0.39) | — | |
| SCHEMBL25343038 | 0.77 | POLB (0.39) | — | |
| SCHEMBL31451340 | 0.77 | POLB (0.39) | — |
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-116390917-A | MRGX2 antagonists | 葛兰素史密斯克莱知识产权发展有限公司 | 2023-07-04 | — | — | CN | disclosed |