Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | IDH1 | O75874 | 9/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL10184102 | 0.91 | IDH1 (0.37) | IDH1POLBOPRM1OPRK1OPRL1 | |
| SCHEMBL10184107 | 0.83 | ALDH1A1 (0.36) | NPC1IDH1HTTALDH1A1USP2 | |
| SCHEMBL10183330 | 0.82 | IDH1 (0.48) | IDH1ALDH1A1OPRM1OPRK1OPRL1 | |
| SCHEMBL10185674 | 0.82 | IDH1 (0.48) | IDH1ALDH1A1OPRM1OPRK1OPRL1 | |
| SCHEMBL10185644 | 0.81 | IDH1 (0.48) | NPC1IDH1HTTPOLBOPRM1 | |
| SCHEMBL10183299 | 0.81 | OPRM1 (0.40) | IDH1HTTOPRM1OPRK1OPRL1 | |
| SCHEMBL10185724 | 0.81 | IDH1 (0.42) | NPC1IDH1OPRM1OPRK1OPRL1 | |
| SCHEMBL10185959 | 0.81 | IDH1 (0.52) | NPC1IDH1OPRM1OPRK1OPRL1 | |
| SCHEMBL10185551 | 0.80 | NPC1 (0.37) | NPC1IDH1HTTALDH1A1OPRM1 | |
| SCHEMBL10183615 | 0.80 | RORC (0.36) | IDH1OPRM1OPRK1OPRL1 |
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-2012009678-A1 | THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE | AGIOS PHARMACEUTICALS, INC. (US) | 2012-01-19 | — | — | WO | disclosed |