Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.47 |
| ▸ | MAPT | P10636 | 6/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.46 |
| ▸ | TSHR | P16473 | 6/20 | 0.46 |
| ▸ | POLB | P06746 | 4/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.45 |
| ▸ | TLR8 | Q9NR97 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | ATM | Q13315 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 5/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL577487 | 0.86 | CYP19A1 (0.49) | CYP19A1HSD17B10MAPTKDM4ETSHR | |
| SCHEMBL13147740 | 0.83 | IDH1 (0.41) | HSD17B10KDM4EALDH1A1KMT2A | |
| SCHEMBL13147660 | 0.79 | IDH1 (0.39) | HSD17B10KDM4EMAPK1ALDH1A1TLR8 | |
| SCHEMBL13147656 | 0.79 | KDM4E (0.47) | CYP19A1HSD17B10MAPTKDM4ETSHR | |
| SCHEMBL577920 | 0.78 | CYP19A1 (0.48) | CYP19A1HSD17B10MAPTKDM4ETSHR | |
| SCHEMBL13147684 | 0.77 | RAB9A (0.41) | CYP19A1HSD17B10KDM4ETSHRALDH1A1 | |
| SCHEMBL13147664 | 0.76 | ALDH1A1 (0.44) | HSD17B10MAPTKDM4EMAPK1ALDH1A1 | |
| SCHEMBL13147680 | 0.76 | PTGS2 (0.40) | MAPTSMN1; SMN2NPSR1 | |
| SCHEMBL13147683 | 0.76 | ADORA2A (0.42) | HSD17B10KDM4EPOLBALDH1A1KMT2A | |
| SCHEMBL5017694 | 0.75 | ADORA2A (0.56) | HSD17B10MAPTKDM4EPOLBALDH1A1 |
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-2010118078-A1 | MACROCYCLIC SERINE PROTEASE INHIBITORS | IDENIX PHARMACEUTICALS, INC. (US) | 2010-10-14 | — | — | WO | disclosed |