Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | GBA1 | P04062 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | PIM1 | P11309 | 2/20 | 0.41 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.41 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HPGDS | O60760 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 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 | |
|---|---|---|---|---|
| SCHEMBL14250208 | 0.86 | CHRNB2 (0.37) | HPGDSCYP11B2LRRK2CYP11B1 | |
| SCHEMBL14318169 | 0.86 | CHRNB2 (0.37) | HPGDSCYP11B2LRRK2CYP11B1 | |
| SCHEMBL20458563 | 0.78 | IDH1 (0.39) | CYP1A2CYP3A4CYP2D6HSD17B10CYP11B2 | |
| SCHEMBL15906804 | 0.75 | TAAR1 (0.48) | CYP1A2CYP3A4KDM4ETAAR1LMNA | |
| SCHEMBL14251565 | 0.74 | IDH1 (0.43) | — | |
| SCHEMBL14315321 | 0.74 | IDH1 (0.43) | — | |
| SCHEMBL14251107 | 0.74 | RET (0.44) | GBA1 | |
| SCHEMBL20458564 | 0.74 | RET (0.44) | GBA1 | |
| SCHEMBL14060115 | 0.72 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2D6GBA1ALOX15 | |
| SCHEMBL7291236 | 0.71 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2D6ALOX15KDM4E |
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-2721019-B1 | THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE | AGIOS PHARMACEUTICALS INC (US) | 2018-08-08 | — | — | EP | disclosed |