Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.44 |
| ▸ | BCKDK | O14874 | 2/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | SCN4A | P35499 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | IKBKB | O14920 | 1/20 | 0.41 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL25284722 | 1.00 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDHSD17B10CYP2C9 | |
| SCHEMBL15697610 | 0.88 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDHSD17B10CYP2C9 | |
| SCHEMBL3627055 | 0.83 | CYP2C9 (0.45) | ALDH1A1KDM4EHPGDHSD17B10CYP2C9 | |
| SCHEMBL121465 | 0.83 | BCKDK (0.48) | ALDH1A1KDM4EHPGDHSD17B10CYP2C9 | |
| SCHEMBL2961556 | 0.83 | ALDH1A1 (0.59) | ALDH1A1KDM4EHPGDHSD17B10MEN1 | |
| SCHEMBL31079664 | 0.83 | ALDH1A1 (0.59) | ALDH1A1KDM4EHPGDHSD17B10MEN1 | |
| SCHEMBL2721181 | 0.82 | GPR35 (0.54) | ALDH1A1KDM4EHPGDHSD17B10CYP2C9 | |
| SCHEMBL868993 | 0.82 | BCKDK (0.66) | ALDH1A1KDM4ECYP2C9CYP2C19BCKDK | |
| SCHEMBL8136940 | 0.80 | KDM4E (0.51) | ALDH1A1KDM4EHPGDHSD17B10CYP2C9 | |
| SCHEMBL2960466 | 0.80 | BCKDK (0.67) | ALDH1A1KDM4EHPGDHSD17B10BCKDK |
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-118647606-A | Benzothiophene derivatives as RXFP1 agonists | 百时美施贵宝公司 | 2024-09-13 | — | — | CN | disclosed |