Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | PHGDH | O43175 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| 1,4-Dichlorobenzene SCHEMBL4473759 | 0.87 | ALDH1A1 (0.50) | SMN1; SMN2LMNAALDH1A1PHGDHHPGD | |
| P-Xylene SCHEMBL21806075 | 0.87 | ACHE (0.50) | SMN1; SMN2LMNAALDH1A1MGLLACHE | |
| P-Xylene SCHEMBL1332978 | 0.85 | ALDH1A1 (0.47) | SMN1; SMN2LMNAALDH1A1HPGDMGLL | |
| Fluoride SCHEMBL27260103 | 0.82 | — | — | |
| Fluoride SCHEMBL7653631 | 0.82 | CES2 (0.59) | CES2CES1NR1H4LMNACYP2A6 | |
| P-Xylene SCHEMBL28142547 | 0.81 | ALDH1A1 (0.38) | CYP3A4SMN1; SMN2LMNAALDH1A1MGLL | |
| Morpholine SCHEMBL7697197 | 0.80 | MEN1 (0.44) | CES2CES1CYP3A4ADRB2SMN1; SMN2 | |
| SCHEMBL12679 | 0.79 | — | — | |
| SCHEMBL28318341 | 0.79 | CES2 (0.62) | CES2CES1NR1H4LMNACYP2A6 | |
| SCHEMBL6203955 | 0.79 | — | — |
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-107759618-B | Preparation method of brinzolamide and intermediate thereof | 威智医药有限公司 | 2020-06-30 | — | — | CN | disclosed |