Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 5/20 | 0.49 |
| ▸ | NOS1 | P29475 | 5/20 | 0.49 |
| ▸ | NOS2 | P35228 | 5/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.47 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL21612140 | 1.00 | NOS3 (0.49) | NOS3NOS1NOS2ALDH1A1HTT | |
| SCHEMBL21612142 | 0.87 | CA2 (0.54) | ALDH1A1CA1CA2GSK3BDAO | |
| SCHEMBL21612141 | 0.87 | CA2 (0.54) | ALDH1A1CA1CA2GSK3BDAO | |
| SCHEMBL28549687 | 0.86 | NOS3 (0.38) | NOS3NOS1NOS2ALDH1A1HTT | |
| SCHEMBL21612134 | 0.78 | TAS1R3 (0.61) | NOS3NOS1NOS2TAS1R3TAS1R1 | |
| SCHEMBL21612133 | 0.78 | TAS1R3 (0.61) | NOS3NOS1NOS2TAS1R3TAS1R1 | |
| SCHEMBL21612135 | 0.74 | MCL1 (0.41) | ALDH1A1TAS1R3TAS1R1POLBMAPT | |
| SCHEMBL21612136 | 0.74 | MCL1 (0.41) | ALDH1A1TAS1R3TAS1R1POLBMAPT | |
| SCHEMBL23553061 | 0.73 | CA12 (0.44) | ALDH1A1TAS1R3TAS1R1CA1CA2 | |
| SCHEMBL23553342 | 0.70 | SMYD3 (0.41) | ALDH1A1TAS1R3TAS1R1MAPTGSK3B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112638894-B | Substituted thiophenecarboxamides and analogues as antibacterial agents | 拜耳公司 | 2024-03-29 | — | — | CN | claimed |
| CN-112638894-A | Substituted thiophenecarboxamides and analogs as antibacterial agents | 拜耳公司 | 2021-04-09 | — | — | CN | claimed |
| CN-112638894-B | Substituted thiophenecarboxamides and analogues as antibacterial agents | 拜耳公司 | 2024-03-29 | — | — | CN | disclosed |