Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.65 |
| ▸ | ACHE | P22303 | 1/20 | 0.65 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochlorthiazide SCHEMBL27382645 | 0.82 | ALDH1A1 (0.65) | TSHRACHELMNAMAPTNFE2L2 | |
| Hydrochlorthiazide SCHEMBL27682551 | 0.82 | TSHR (0.46) | TSHRACHELMNAMAPTNFE2L2 | |
| 3-Nitroaniline SCHEMBL27496538 | 0.82 | ALDH1A1 (0.65) | TSHRACHELMNAMAPTALDH1A1 | |
| Hydrochlorthiazide SCHEMBL27718201 | 0.82 | TSHR (0.46) | TSHRACHELMNAMAPTALDH1A1 | |
| Hydrochlorthiazide SCHEMBL27558968 | 0.81 | NPC1 (0.50) | TSHRLMNAMAPTNFE2L2KEAP1 | |
| Nitrobenzene SCHEMBL27321664 | 0.81 | ALDH1A1 (0.57) | TSHRLMNAMAPTNFE2L2ALDH1A1 | |
| Hydrochlorthiazide SCHEMBL27570985 | 0.81 | ALDH1A1 (0.64) | TSHRACHELMNAMAPTALDH1A1 | |
| M-Xylene SCHEMBL10710480 | 0.81 | ACHE (0.50) | ACHEMAPTALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL2486973 | 0.80 | TSHR (1.00) | TSHRACHELMNAMAPTNFE2L2 | |
| SCHEMBL31183022 | 0.80 | TSHR (1.00) | TSHRACHELMNAMAPTNFE2L2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109369566-A | A kind of benzothiazole derivant NTNO and its preparation method and application | 山西大学 | 2019-02-22 | — | — | CN | claimed |
| CN-109369566-A | A kind of benzothiazole derivant NTNO and its preparation method and application | 山西大学 | 2019-02-22 | — | — | CN | disclosed |
| CN-109369566-A | A kind of benzothiazole derivant NTNO and its preparation method and application | 山西大学 | 2019-02-22 | — | — | CN | disclosed |
| CN-109265409-A | A kind of synthetic method of the benzoxazoles that 2- replaces and benzothiazole and its derivative that 2- replaces | 重庆医科大学 | 2019-01-25 | — | — | CN | disclosed |
| CN-1993477-A | Methods and reagents for measuring nitroreductase enzyme activity | AMERSHAM BIOSCIENCES UK LTD (GB) | 2007-07-04 | — | — | CN | disclosed |