Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MASP2 | O00187 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.43 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13050704 | 1.00 | ALDH1A1 (0.46) | ALDH1A1NPC1RAB9ASMN1; SMN2NPSR1 | |
| SCHEMBL28614344 | 0.85 | NPY5R (0.45) | ALDH1A1NPC1RAB9ASMN1; SMN2NPSR1 | |
| SCHEMBL15766752 | 0.81 | NPY5R (0.47) | ALDH1A1NPC1RAB9ASMN1; SMN2NPSR1 | |
| SCHEMBL702798 | 0.76 | NPY5R (0.57) | ALDH1A1PKMPOLBKMT2ANPY5R | |
| SCHEMBL20677809 | 0.74 | ALDH1A1 (0.52) | ALDH1A1NPC1RAB9ASMN1; SMN2NPSR1 | |
| SCHEMBL2276872 | 0.74 | ALDH1A1 (0.59) | ALDH1A1NPC1RAB9ASMN1; SMN2NPSR1 | |
| SCHEMBL3924167 | 0.73 | TRPC3 (0.43) | ALDH1A1NPC1RAB9ASMN1; SMN2NPSR1 | |
| Hydrochloric Acid SCHEMBL31596380 | 0.73 | MAPT (0.57) | ALDH1A1NPC1RAB9ASMN1; SMN2NPSR1 | |
| SCHEMBL2673301 | 0.71 | ALDH1A1 (0.48) | ALDH1A1NPC1RAB9ASMN1; SMN2NPSR1 | |
| SCHEMBL2674802 | 0.71 | HTR2B (0.55) | NPC1RAB9AKDM4EPOLBKMT2A |
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-2010138589-A1 | BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE | GENENTECH, INC. (US) | 2010-12-02 | — | — | WO | disclosed |