Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | ME2 | P23368 | 2/20 | 0.52 |
| ▸ | ME1 | P48163 | 2/20 | 0.52 |
| ▸ | ME3 | Q16798 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | GFER | P55789 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | AR | P10275 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL17541577 | 0.80 | LMNA (0.60) | KMT2AMEN1ALDH1A1NPC1RAB9A | |
| SCHEMBL11697466 | 0.78 | LMNA (0.55) | KMT2AMEN1ALDH1A1NPC1RAB9A | |
| SCHEMBL11698870 | 0.78 | LMNA (0.60) | ALDH1A1NPC1RAB9AMAPTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL11700138 | 0.77 | LMNA (0.54) | KMT2AMEN1ALDH1A1NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL11696972 | 0.76 | LMNA (0.58) | ALDH1A1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL3151415 | 0.76 | AR (0.53) | KMT2AMEN1ALDH1A1NPC1RAB9A | |
| SCHEMBL3259383 | 0.76 | MC4R (0.47) | KMT2AMEN1ALDH1A1ME2ME1 | |
| SCHEMBL7131839 | 0.75 | NPC1 (0.86) | KMT2AMEN1ALDH1A1ME2ME1 | |
| SCHEMBL3796852 | 0.75 | ME2 (0.72) | KMT2AMEN1ALDH1A1ME2ME1 | |
| SCHEMBL11703000 | 0.75 | MAPT (0.60) | KMT2AMEN1ALDH1A1MAPTL3MBTL1 |
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-1765816-B1 | SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS | GRUENENTHAL GMBH (DE) | 2010-03-10 | — | — | EP | disclosed |