Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3591278 | 0.79 | — | — | |
| SCHEMBL3589475 | 0.74 | CA1 (0.43) | GAATSHRKMT2ACA1CA2 | |
| SCHEMBL3592566 | 0.72 | CA1 (0.48) | GAATSHRKMT2ACA1CA2 | |
| SCHEMBL12989189 | 0.64 | — | — | |
| SCHEMBL3123076 | 0.64 | — | — | |
| SCHEMBL4256096 | 0.63 | CA1 (0.43) | GAATSHRKMT2ACA1CA2 | |
| SCHEMBL24429236 | 0.63 | CA1 (0.38) | GAATSHRKMT2ACA1CA2 | |
| SCHEMBL5314300 | 0.62 | KMT2A (0.81) | GAATSHRKMT2ACA1CA2 | |
| SCHEMBL2428756 | 0.62 | CA1 (0.48) | TSHRKMT2ACA1CA2POLB | |
| SCHEMBL12097565 | 0.61 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0169603-B1 | PREPARATION OF N-SUBSTITUTED-3-CYANO AZETIDINE DERIVATIVES | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1989-02-22 | — | — | EP | claimed |
| EP-0169603-A1 | Preparation of N-substituted-3-cyano azetidine derivatives | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1986-01-29 | — | — | EP | claimed |
| EP-0169603-B1 | PREPARATION OF N-SUBSTITUTED-3-CYANO AZETIDINE DERIVATIVES | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1989-02-22 | — | — | EP | disclosed |
| EP-0169603-A1 | Preparation of N-substituted-3-cyano azetidine derivatives | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1986-01-29 | — | — | EP | disclosed |