Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 11/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | CFTR | P13569 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.33 |
| ▸ | PIK3R1 | P27986 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20458564 | 0.83 | RET (0.44) | IDH1 | |
| SCHEMBL14251107 | 0.83 | RET (0.44) | IDH1 | |
| SCHEMBL14251565 | 0.81 | IDH1 (0.43) | IDH1 | |
| SCHEMBL14315321 | 0.81 | IDH1 (0.43) | IDH1 | |
| SCHEMBL14318169 | 0.80 | CHRNB2 (0.37) | IDH1LRRK2CYP11B1CYP11B2USP30 | |
| SCHEMBL14250208 | 0.80 | CHRNB2 (0.37) | IDH1LRRK2CYP11B1CYP11B2USP30 | |
| SCHEMBL20458565 | 0.78 | CYP1A2 (0.44) | LRRK2CFTRALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL15900550 | 0.73 | IDH1 (0.50) | IDH1PIK3CDPIK3R1 | |
| SCHEMBL14250708 | 0.73 | IDH1 (0.50) | IDH1PIK3CDPIK3R1 | |
| SCHEMBL14251607 | 0.73 | IDH1 (0.51) | IDH1PIK3CDPIK3R1 |
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 |