Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 7/20 | 0.49 |
| ▸ | RAB9A | P51151 | 6/20 | 0.49 |
| ▸ | NPC1 | O15118 | 5/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4740081 | 0.86 | EGFR (0.52) | EGFRMAPTRAB9ANPC1ALDH1A1 | |
| SCHEMBL28780142 | 0.80 | PTPN1 (0.42) | MAPTRAB9ANPC1ALDH1A1MEN1 | |
| SCHEMBL12548274 | 0.78 | RAB9A (0.59) | EGFRMAPTRAB9ANPC1ALDH1A1 | |
| SCHEMBL2440072 | 0.77 | RAB9A (0.60) | MAPTRAB9ANPC1ALDH1A1MEN1 | |
| SCHEMBL8345149 | 0.76 | RAB9A (0.69) | EGFRMAPTRAB9ANPC1ALDH1A1 | |
| SCHEMBL21175816 | 0.76 | HDAC4 (0.49) | — | |
| SCHEMBL15111192 | 0.76 | RAB9A (0.59) | MAPTRAB9ANPC1ALDH1A1MEN1 | |
| SCHEMBL1246665 | 0.76 | RAB9A (0.59) | MAPTRAB9ANPC1ALDH1A1MEN1 | |
| SCHEMBL16400376 | 0.75 | EGFR (0.56) | EGFRMAPTRAB9ANPC1ALDH1A1 | |
| SCHEMBL12064938 | 0.75 | FFAR2 (0.47) | MAPTRAB9ANPC1ALDH1A1MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1960392-A2 | HETEROCYCLE-SUBSTITUTED 3-ALKYL AZETIDINE DERIVATIVES | Merck & Co., Inc. (US) | 2008-08-27 | — | — | EP | disclosed |
| WO-2007064566-A2 | HETEROCYCLE-SUBSTITUTED 3-ALKYL AZETIDINE DERIVATIVES | MERCK & CO., INC. (US) | 2007-06-07 | — | — | WO | disclosed |