Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | MMP2 | P08253 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | BCL2 | P10415 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3927380 | 0.91 | CYP2D6 (0.45) | ALDH1A1GAASMN1; SMN2LMNAMEN1 | |
| SCHEMBL4038204 | 0.86 | EPHX2 (0.47) | ALDH1A1MEN1KMT2AEPHX2CYP3A4 | |
| SCHEMBL3925382 | 0.84 | ALDH1A1 (0.51) | ALDH1A1GAAMMP2SMN1; SMN2LMNA | |
| SCHEMBL4041453 | 0.84 | MEN1 (0.42) | ALDH1A1GAAMMP2SMN1; SMN2LMNA | |
| SCHEMBL4041277 | 0.84 | KMT2A (0.41) | ALDH1A1GAASMN1; SMN2LMNAMEN1 | |
| SCHEMBL4035567 | 0.84 | LMNA (0.48) | ALDH1A1GAALMNAMEN1KMT2A | |
| SCHEMBL4041475 | 0.83 | MMP2 (0.39) | ALDH1A1GAAMMP2SMN1; SMN2LMNA | |
| SCHEMBL4041414 | 0.82 | KMT2A (0.46) | ALDH1A1GAASMN1; SMN2LMNANPSR1 | |
| SCHEMBL4034055 | 0.81 | L3MBTL1 (0.45) | ALDH1A1GAALMNAMEN1KMT2A | |
| SCHEMBL4037894 | 0.80 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2LMNAMEN1KMT2A |
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-1730144-B1 | SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5 DECAN-2-ONE COMPOUNDS | GRUENENTHAL GMBH (DE) | 2009-06-10 | — | — | EP | claimed |