Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSPO | P30536 | 1/20 | 0.47 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.42 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.42 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | LIPE | Q05469 | 1/20 | 0.39 |
| ▸ | APAF1 | O14727 | 1/20 | 0.39 |
| ▸ | TDP2 | O95551 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2536563 | 0.82 | TSPO (0.67) | TSPOPAX8TLR9GPBAR1POLB | |
| SCHEMBL2754152 | 0.81 | TSPO (0.45) | TSPOPAX8TLR9GPBAR1POLB | |
| SCHEMBL10289021 | 0.81 | TSPO (0.40) | TSPOPAX8TLR9GPBAR1POLB | |
| SCHEMBL7816426 | 0.81 | TSPO (0.47) | TSPOPAX8TLR9GPBAR1POLB | |
| SCHEMBL12574308 | 0.80 | TSPO (0.50) | TSPOPAX8TLR9GPBAR1POLB | |
| SCHEMBL8779753 | 0.79 | TSPO (0.53) | TSPOPAX8TLR9GPBAR1POLB | |
| SCHEMBL9150443 | 0.78 | ALDH1A1 (0.46) | POLBKDM4ECA1CA2CA12 | |
| SCHEMBL514005 | 0.78 | TSPO (0.45) | TSPOPAX8TLR9GPBAR1POLB | |
| SCHEMBL28353095 | 0.78 | KMT2A (0.55) | TSPOPOLBKDM4ECA1CA2 | |
| SCHEMBL10939691 | 0.77 | TSPO (0.47) | TSPOPAX8TLR9GPBAR1POLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106749214-B | Compound containing 1, 3-benzoxazole difluoromethylene indolone and preparation method thereof | 上海大学 | 2020-01-17 | — | — | CN | disclosed |
| CN-106749214-A | Containing 1,3 benzoxazole difluoro methylene indole ketone compounds and preparation method thereof | 上海大学 | 2017-05-31 | — | — | CN | disclosed |