Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | CA2 | P00918 | 18/20 | 0.57 |
| ▸ | CA1 | P00915 | 14/20 | 0.57 |
| ▸ | CA9 | Q16790 | 14/20 | 0.57 |
| ▸ | CA7 | P43166 | 7/20 | 0.57 |
| ▸ | CA5A | P35218 | 6/20 | 0.57 |
| ▸ | CA5B | Q9Y2D0 | 6/20 | 0.57 |
| ▸ | CA12 | O43570 | 12/20 | 0.52 |
| ▸ | CA6 | P23280 | 3/20 | 0.52 |
| ▸ | CA3 | P07451 | 2/20 | 0.52 |
| ▸ | CA4 | P22748 | 4/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.48 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | AGO2 | Q9UKV8 | 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 | |
|---|---|---|---|---|
| SCHEMBL84516 | 0.82 | CA2 (0.68) | ALDH1A1CA2CA1CA9CA7 | |
| SCHEMBL1186051 | 0.80 | ALDH1A1 (0.62) | ALDH1A1CA2CA1CA9CA7 | |
| Fluoride SCHEMBL28353367 | 0.80 | CA2 (0.66) | ALDH1A1CA2CA1CA9CA7 | |
| SCHEMBL8248221 | 0.80 | ALDH1A1 (0.62) | ALDH1A1CA2CA1CA9CA7 | |
| SCHEMBL1790668 | 0.80 | ALDH1A1 (0.62) | ALDH1A1CA2CA1CA9CA7 | |
| Hydrochloric Acid SCHEMBL3532247 | 0.80 | CA2 (0.66) | ALDH1A1CA2CA1CA9CA7 | |
| SCHEMBL9423733 | 0.80 | CA2 (0.66) | ALDH1A1CA2CA1CA9CA7 | |
| SCHEMBL20680962 | 0.79 | ALDH1A1 (0.56) | ALDH1A1CA2CA1CA9CA7 | |
| SCHEMBL4584600 | 0.78 | ALDH1A1 (0.60) | ALDH1A1CA2CA1CA9CA7 | |
| Hydrochloric Acid SCHEMBL2352018 | 0.78 | ALDH1A1 (0.60) | ALDH1A1CA2CA1CA9CA7 |
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 |
|---|---|---|---|---|---|---|---|
| US-5973156-A | Piperidine and tetrahydropyridine derivatives | MERCK SHARP & DOME LTD. (GB) | 1999-10-26 | — | — | US | disclosed |
| EP-0861245-A1 | PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 1998-09-02 | — | — | EP | disclosed |
| WO-1997019073-A1 | PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1997-05-29 | — | — | WO | disclosed |