Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CASP2 | P42575 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL22540311 | 0.80 | CTSD (0.37) | CTSDHDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL13522735 | 0.70 | KDM4A (0.30) | — | |
| SCHEMBL20157549 | 0.69 | HDAC3 (0.40) | CTSDHDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL4879049 | 0.68 | — | — | |
| SCHEMBL2933109 | 0.67 | HDAC3 (0.46) | CTSDHDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL1643947 | 0.67 | HDAC3 (0.63) | CTSDHDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL22540338 | 0.66 | HDAC3 (0.36) | CTSDHDAC3HDAC1HDAC2HDAC8 | |
| Water SCHEMBL29155573 | 0.65 | HDAC3 (0.60) | CTSDHDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL14291827 | 0.65 | FFAR3 (0.31) | HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL8293489 | 0.65 | — | — |
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-3402783-B1 | 3-(CARBOXYETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2020-03-04 | — | — | EP | disclosed |