Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 10/20 | 0.47 |
| ▸ | CA2 | P00918 | 9/20 | 0.47 |
| ▸ | NOS1 | P29475 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 6/20 | 0.42 |
| ▸ | CA9 | Q16790 | 6/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | PTPRB | P23467 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL28707450 | 0.81 | CA1 (0.50) | CA1CA2NOS1CA12CA9 | |
| SCHEMBL2007165 | 0.79 | CA2 (0.55) | CA1CA2NOS1CA12CA9 | |
| SCHEMBL13141168 | 0.77 | CA1 (0.61) | CA1CA2CA12CA9CA4 | |
| SCHEMBL12426529 | 0.76 | CA2 (0.52) | CA1CA2NOS1CA12CA9 | |
| SCHEMBL22480986 | 0.74 | CA1 (0.54) | CA1CA2CA12CA9CA4 | |
| SCHEMBL7135778 | 0.74 | CA2 (0.53) | CA1CA2NOS1CA12CA9 | |
| SCHEMBL7179836 | 0.73 | CA2 (0.61) | CA1CA2CA12CA9CA4 | |
| SCHEMBL185757 | 0.73 | CA2 (0.61) | CA1CA2NOS1CA12CA9 | |
| SCHEMBL2005567 | 0.73 | CA2 (0.61) | CA1CA2NOS1CA12CA9 | |
| SCHEMBL10129737 | 0.72 | CA1 (0.58) | CA1CA2CA12CA9PTPRB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |