Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B2 | P37059 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | SPTLC2 | O15270 | 1/20 | 0.39 |
| ▸ | TAS1R3 | Q7RTX0 | 6/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 6/20 | 0.38 |
| ▸ | TAS1R2 | Q8TE23 | 6/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | BRD4 | O60885 | 2/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.38 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2817718 | 0.94 | HSD17B2 (0.47) | HSD17B2ALDH1A1SPTLC2TAS1R3TAS1R1 | |
| SCHEMBL2817719 | 0.94 | HSD17B2 (0.47) | HSD17B2ALDH1A1SPTLC2TAS1R3TAS1R1 | |
| SCHEMBL13190099 | 0.91 | HSD17B2 (0.45) | HSD17B2ALDH1A1TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL15235419 | 0.87 | ALDH1A1 (0.45) | HSD17B2ALDH1A1SPTLC2TAS1R3TAS1R1 | |
| SCHEMBL2819081 | 0.83 | HSD17B2 (0.46) | HSD17B2ALDH1A1TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL2819085 | 0.83 | HSD17B2 (0.46) | HSD17B2ALDH1A1TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL803721 | 0.81 | SPTLC2 (0.49) | HSD17B2ALDH1A1SPTLC2TAS1R3TAS1R1 | |
| SCHEMBL485049 | 0.81 | ALDH1A1 (0.47) | ALDH1A1SPTLC2TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL784581 | 0.81 | ALDH1A1 (0.47) | ALDH1A1SPTLC2TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL2816141 | 0.77 | ALDH1A1 (0.47) | HSD17B2ALDH1A1SPTLC2TAS1R3TAS1R1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010108651-A1 | SUBSTITUTED SPIRO-AMIDE COMPOUNDS | Grünenthal GmbH (DE) | 2010-09-30 | — | — | WO | disclosed |