Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | ATM | Q13315 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | TYMS | P04818 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29350007 | 0.75 | ALDH1A1 (0.59) | KDM4EMAPK1ATMCYP1A2ALDH1A1 | |
| SCHEMBL27953 | 0.75 | ALDH1A1 (0.59) | KDM4EMAPK1ATMCYP1A2ALDH1A1 | |
| SCHEMBL25302086 | 0.75 | ALDH1A1 (0.59) | KDM4EMAPK1ATMCYP1A2ALDH1A1 | |
| SCHEMBL3237232 | 0.74 | NISCH (0.46) | KDM4EMAPK1ATMCYP1A2ALDH1A1 | |
| SCHEMBL3248017 | 0.74 | MAPT (0.42) | KDM4EMAPK1ATMCYP1A2ALDH1A1 | |
| SCHEMBL17836548 | 0.73 | ALDH1A1 (0.56) | KDM4EMAPK1ATMCYP1A2ALDH1A1 | |
| Bromide SCHEMBL8588309 | 0.73 | ALDH1A1 (0.56) | KDM4EMAPK1ATMCYP1A2ALDH1A1 | |
| SCHEMBL6077039 | 0.73 | ALDH1A1 (0.56) | KDM4EMAPK1ATMCYP1A2ALDH1A1 | |
| Bromide SCHEMBL7106161 | 0.73 | ALDH1A1 (0.56) | KDM4EMAPK1ATMCYP1A2ALDH1A1 | |
| SCHEMBL2638067 | 0.73 | ALDH1A1 (0.56) | KDM4EMAPK1ATMCYP1A2ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7981883-B2 | Substituted spiro-compounds and the use thereof for producing medicaments | GRUENENTHAL GMBH (DE) | 2011-07-19 | — | — | US | claimed |
| US-7981883-B2 | Substituted spiro-compounds and the use thereof for producing medicaments | GRUENENTHAL GMBH (DE) | 2011-07-19 | — | — | US | disclosed |