Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | MMP12 | P39900 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.30 |
| ▸ | ACLY | P53396 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6555695 | 0.80 | ALDH1A1 (0.39) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL31346450 | 0.78 | ALDH1A1 (0.33) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL5538 | 0.78 | — | — | |
| SCHEMBL9369144 | 0.78 | ALDH1A1 (0.34) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL28011339 | 0.78 | ALDH1A1 (0.37) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| Trifluoroacetic Acid SCHEMBL16569295 | 0.78 | NOS1 (0.33) | ALDH1A1 | |
| SCHEMBL2022509 | 0.76 | SLC6A2 (0.34) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL12100629 | 0.76 | SLC6A2 (0.34) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL5033932 | 0.75 | ALDH1A1 (0.34) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL28140457 | 0.75 | DGAT1 (0.35) | ALDH1A1SLC6A2MMP12MMP13TET2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110088087-B | Tetrahydropyridine derivatives and their use as antibacterial agents | 东亚ST株式会社 | 2022-08-09 | — | — | CN | disclosed |
| CN-110088087-A | TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS | 东亚ST株式会社 | 2019-08-02 | — | — | CN | disclosed |
| CN-108368053-A | Substituted benzazepine derivatives as antibacterial compounds | 葛兰素史密斯克莱知识产权发展有限公司 | 2018-08-03 | — | — | CN | disclosed |
| CN-103492368-A | imidazole, pyrazole and thiazole derivatives as antibacterial agents | PFIZER | 2014-01-01 | — | — | CN | disclosed |
| CN-103443079-A | Fluoropyridone derivatives useful as antibacterial agents | PFIZER | 2013-12-11 | — | — | CN | disclosed |
| WO-2011073845-A1 | N-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS | PFIZER INC. (US) | 2011-06-23 | — | — | WO | disclosed |