Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.70 |
| ▸ | LMNA | P02545 | 2/20 | 0.70 |
| ▸ | CA2 | P00918 | 8/20 | 0.57 |
| ▸ | CA1 | P00915 | 6/20 | 0.57 |
| ▸ | CA9 | Q16790 | 6/20 | 0.57 |
| ▸ | CA12 | O43570 | 4/20 | 0.57 |
| ▸ | CA5A | P35218 | 4/20 | 0.57 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.57 |
| ▸ | CA3 | P07451 | 2/20 | 0.57 |
| ▸ | CA4 | P22748 | 2/20 | 0.57 |
| ▸ | CA6 | P23280 | 2/20 | 0.57 |
| ▸ | CA7 | P43166 | 2/20 | 0.57 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.57 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | CRHBP | P24387 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Nitrobenzene SCHEMBL3818354 | 0.91 | ALDH1A1 (0.76) | ALDH1A1LMNACA2CA1CA9 | |
| Nitrobenzene SCHEMBL28275059 | 0.91 | LMNA (0.76) | ALDH1A1LMNACA2CA1CA9 | |
| Nitrobenzene SCHEMBL27560682 | 0.87 | ALDH1A1 (0.70) | ALDH1A1LMNACA2CA1CA9 | |
| Nitrobenzene SCHEMBL28261425 | 0.87 | ALDH1A1 (0.70) | ALDH1A1LMNACA2CA1CA9 | |
| Nitrobenzene SCHEMBL31005945 | 0.87 | ALDH1A1 (0.70) | ALDH1A1LMNACA2CA1CA9 | |
| Nitrobenzene SCHEMBL6572610 | 0.87 | ALDH1A1 (0.70) | ALDH1A1LMNACA2CA1CA9 | |
| Nitrobenzene SCHEMBL11742643 | 0.86 | ALDH1A1 (0.84) | ALDH1A1LMNACA2CA1CA9 | |
| Nitrobenzene SCHEMBL17873899 | 0.86 | ALDH1A1 (0.61) | ALDH1A1LMNACA2CA1CA9 | |
| Nitrobenzene SCHEMBL28046944 | 0.84 | ALDH1A1 (0.80) | ALDH1A1LMNACA2CA1CA9 | |
| Nitrobenzene SCHEMBL28089388 | 0.84 | ALDH1A1 (0.89) | ALDH1A1LMNACA2CA1CA9 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110143999-A | Have cytotoxicity and antimitotic compound and its application method | 酵活有限公司 | 2019-08-20 | — | — | CN | disclosed |
| CN-105358174-B | Cytotoxic and antimitotic compounds and methods of use thereof | 酵活有限公司 | 2019-03-15 | — | — | CN | disclosed |
| CN-105358174-A | Cytotoxic and antimitotic compounds and methods of use thereof | CT FOR DRUG RES AND DEV | 2016-02-24 | — | — | CN | disclosed |
| CN-102432519-B | Preparation method of 3-(2-aminoethyl)-N-methyl-1H-indole-5-methanesulfonamide | SHANDONG XINHUA PHARMACEUTICAL | 2013-12-11 | — | — | CN | disclosed |
| CN-102432519-A | Preparation method of 3- (2-aminoethyl) -N-methyl-1H-indole-5-methanesulfonamide | SHANDONG XINHUA PHARMACEUTICAL | 2012-05-02 | — | — | CN | disclosed |
| US-6025374-A | Azetidine, pyrrolidine and piperidine derivatives as 5HT1 receptor agonists | MERCK SHARP & DOHME, LTD. (GB) | 2000-02-15 | — | — | US | disclosed |
| EP-0796258-A1 | AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES AS 5HT1 RECEPTOR AGONISTS | MERCK SHARP & DOHME LTD. (GB) | 1997-09-24 | — | — | EP | disclosed |
| WO-1996017842-A1 | AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES AS 5HT1 RECEPTOR AGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1996-06-13 | — | — | WO | disclosed |