Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 2/20 | 0.36 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.35 |
| ▸ | TTR | P02766 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | RECQL | P46063 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4351134 | 0.82 | ERN1 (0.36) | PTGESALDH1A1HPGDLMNAALOX5 | |
| SCHEMBL4351937 | 0.74 | MAPK1 (0.33) | ALDH1A1MAPK1MAPT | |
| SCHEMBL4351731 | 0.73 | PTGES (0.36) | PTGESALDH1A1MAPK1MAOAMAOB | |
| SCHEMBL4350103 | 0.73 | PKM (0.43) | TSHRALDH1A1HSD17B10HPGDCYP2C9 | |
| SCHEMBL4355356 | 0.72 | HSPD1 (0.49) | TSHRALDH1A1HSD17B10ALOX15MAPK1 | |
| SCHEMBL4350363 | 0.72 | TRPV1 (0.43) | HPGD | |
| SCHEMBL4355874 | 0.72 | POLB (0.37) | TTRTSHRCYP3A4TDP1RECQL | |
| SCHEMBL4343483 | 0.71 | ESR1 (0.39) | PTGESFOLH1ALDH1A1HSD17B10LMNA | |
| SCHEMBL4349869 | 0.71 | MEN1 (0.39) | TDP1RECQLALDH1A1KDM4EMAPT | |
| SCHEMBL4357469 | 0.71 | MAPK1 (0.38) | TSHRALDH1A1HSD17B10MAPK1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |