Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.38 |
| ▸ | C1S | P09871 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | AGXT | P21549 | 2/20 | 0.37 |
| ▸ | KDM1A | O60341 | 2/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL258733 | 0.93 | TDP1 (0.57) | ALDH1A1MAPK1TDP1CYP3A4TAAR1 | |
| Bromide SCHEMBL7090229 | 0.91 | TDP1 (0.55) | ALDH1A1MAPK1TDP1CYP3A4C1S | |
| SCHEMBL23182241 | 0.82 | TDP1 (0.44) | ALDH1A1MAPK1TDP1CYP3A4IDO1 | |
| SCHEMBL18860666 | 0.79 | ALDH1A1 (0.42) | ALDH1A1MAPK1TDP1TAAR1C1S | |
| SCHEMBL10749139 | 0.79 | ALDH1A1 (0.42) | ALDH1A1MAPK1TDP1TAAR1C1S | |
| SCHEMBL20560964 | 0.79 | ALDH1A1 (0.48) | ALDH1A1MAPK1TDP1TAAR1C1S | |
| SCHEMBL20345792 | 0.77 | TDP1 (0.39) | ALDH1A1MAPK1TDP1CYP3A4IDO1 | |
| SCHEMBL5000 | 0.75 | — | — | |
| SCHEMBL19463911 | 0.74 | ALDH1A1 (0.46) | ALDH1A1MAPK1TDP1CYP3A4IDO1 | |
| SCHEMBL19678036 | 0.74 | TDP1 (0.60) | ALDH1A1MAPK1TDP1CYP3A4IDO1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110359097-B | Method for obtaining On-DNA aromatic hydrocarbon compound through Suzuki coupling reaction in construction of DNA coding compound library | 上海药明康德新药开发有限公司 | 2022-09-20 | — | — | CN | claimed |
| CN-110331447-B | Method for preparing On-DNA aryl alkyne compound in construction of DNA coding compound library | 上海药明康德新药开发有限公司 | 2022-05-27 | — | — | CN | claimed |
| CN-110079867-B | On-DNA wittig reaction method in DNA coding compound library and prepared On-DNA olefin compound | 上海药明康德新药开发有限公司 | 2022-01-04 | — | — | CN | claimed |
| CN-110359097-B | Method for obtaining On-DNA aromatic hydrocarbon compound through Suzuki coupling reaction in construction of DNA coding compound library | 上海药明康德新药开发有限公司 | 2022-09-20 | — | — | CN | disclosed |
| CN-110041390-B | Method for synthesizing On-DNA 1,2, 3-triazole compound in DNA coding compound library | 上海药明康德新药开发有限公司 | 2022-05-27 | — | — | CN | disclosed |
| CN-110331447-B | Method for preparing On-DNA aryl alkyne compound in construction of DNA coding compound library | 上海药明康德新药开发有限公司 | 2022-05-27 | — | — | CN | disclosed |
| CN-110079867-B | On-DNA wittig reaction method in DNA coding compound library and prepared On-DNA olefin compound | 上海药明康德新药开发有限公司 | 2022-01-04 | — | — | CN | disclosed |