Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | ACACB | O00763 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.30 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12204909 | 0.75 | TDP1 (0.42) | TDP1ACACBALDH1A1ALOX15TSHR | |
| SCHEMBL19454935 | 0.70 | ALDH1A1 (0.41) | TDP1ALDH1A1KDM4EALOX15HSD17B10 | |
| SCHEMBL26296867 | 0.68 | MAPT (0.39) | DYRK1A | |
| SCHEMBL7942491 | 0.66 | CHRM1 (0.48) | TDP1ALDH1A1TSHRMTNR1AMTNR1B | |
| SCHEMBL16132278 | 0.65 | SLC29A1 (0.40) | — | |
| SCHEMBL179676 | 0.64 | CHRM1 (0.48) | TDP1ALDH1A1TSHRMTNR1AMTNR1B | |
| SCHEMBL24218534 | 0.64 | HDAC1 (0.47) | — | |
| SCHEMBL17611243 | 0.64 | KDM4E (0.62) | TDP1ACACBALDH1A1KDM4EALOX15 | |
| SCHEMBL7879115 | 0.64 | MTOR (0.47) | TDP1ALDH1A1KDM4EHSD17B10CHRM1 | |
| SCHEMBL19144976 | 0.64 | OPRM1 (0.41) | PDK2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3402781-B1 | 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2020-03-04 | — | — | EP | disclosed |