Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CASP6 | P55212 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.37 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.37 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | FBP1 | P09467 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10855157 | 0.82 | OPRK1 (0.48) | CYP1A2TDP1CYP2D6AKR1B1TSHR | |
| SCHEMBL19180321 | 0.80 | CYP1A2 (0.50) | CYP1A2TDP1MAPTPDK1NPC1 | |
| SCHEMBL19180970 | 0.79 | CYP1A2 (0.53) | CYP1A2TDP1MAPTPDK1NPC1 | |
| SCHEMBL19182459 | 0.79 | CYP1A2 (0.53) | CYP1A2TDP1MAPTPDK1FBP1 | |
| SCHEMBL3962914 | 0.79 | CYP1A2 (0.51) | CYP1A2TDP1GPR35NPC1RAB9A | |
| SCHEMBL4388496 | 0.77 | GPR35 (0.53) | CYP1A2TDP1GPR35NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL20702222 | 0.75 | GPR35 (0.51) | CYP1A2TDP1GPR35NPC1RAB9A | |
| SCHEMBL6100112 | 0.75 | CYP1A2 (0.55) | CYP1A2MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9452749 | 0.75 | CYP1A2 (0.69) | CYP1A2PDK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL442788 | 0.75 | CYP1A2 (0.69) | CYP1A2PDK1NPC1RAB9ASMN1; SMN2 |
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-115735853-A | Method for constructing inflammatory bowel disease model of rat by using multichannel micro-injection pump | 凯斯艾生物科技（苏州）有限公司 | 2023-03-07 | — | — | CN | disclosed |