Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.39 |
| ▸ | RAB9A | P51151 | 5/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3954627 | 0.70 | CYP1A2 (0.61) | CYP1A2ALDH1A1POLBHPGDFAAH | |
| SCHEMBL29154161 | 0.70 | CYP1A2 (0.39) | CYP1A2SMN1; SMN2ALDH1A1HTTUSP2 | |
| SCHEMBL15414898 | 0.69 | CYP1A2 (0.41) | CYP1A2SMN1; SMN2ALDH1A1HTTUSP2 | |
| SCHEMBL28390566 | 0.68 | HTT (0.53) | SMN1; SMN2RAB9ANPC1ALDH1A1HTT | |
| SCHEMBL3009475 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL2991144 | 0.67 | CYP1A2 (0.61) | CYP1A2ALDH1A1LMNAFAAHCTSK | |
| SCHEMBL22769144 | 0.67 | CYP1A2 (0.37) | CYP1A2CTSK | |
| SCHEMBL1274112 | 0.67 | CYP1A2 (0.60) | CYP1A2SMN1; SMN2ALDH1A1HTTUSP2 | |
| SCHEMBL4609662 | 0.67 | CYP1A2 (0.60) | CYP1A2SMN1; SMN2RAB9ANPC1HTT | |
| SCHEMBL16494803 | 0.66 | FPR2 (0.49) | CYP1A2RAB9ANPC1ALDH1A1HSD17B10 |
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-115989220-A | Amido cyclohexanoic acid derivatives as LPA receptor inhibitors | 奇斯药制品公司 | 2023-04-18 | — | — | CN | disclosed |