Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 3/20 | 0.46 |
| ▸ | ESR1 | P03372 | 3/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13071901 | 0.85 | PDE4B (0.34) | PDE4BESR1ESR2KDM4EALDH1A1 | |
| SCHEMBL13637184 | 0.74 | CYP3A4 (0.39) | KDM4EALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL7945510 | 0.68 | MAPT (0.34) | KDM4EALDH1A1HPGDL3MBTL1MEN1 | |
| SCHEMBL5592936 | 0.67 | MAPK1 (0.55) | PDE4BKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL14433126 | 0.62 | PDE4B (0.41) | PDE4BKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL8078744 | 0.62 | ESR1 (0.49) | ESR1ESR2MEN1KMT2A | |
| SCHEMBL3624833 | 0.61 | ENPP3 (0.43) | PDE4BESR1ESR2KDM4EALDH1A1 | |
| SCHEMBL2237640 | 0.61 | NQO2 (0.35) | PDE4BESR1ESR2KDM4EALDH1A1 | |
| SCHEMBL15222168 | 0.61 | IMPDH2 (0.51) | PDE4BKDM4EALDH1A1RAD52HPGD | |
| SCHEMBL2839768 | 0.60 | ESR1 (0.38) | PDE4BESR1ESR2KDM4EALDH1A1 |
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-2009142842-A2 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2009-11-26 | — | — | WO | disclosed |