Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.32 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.32 |
| ▸ | EDNRB | P24530 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1563 | 0.81 | PTPN1 (0.47) | PTPN1ALDH1A1MAPTRXFP1MEN1 | |
| SCHEMBL1784 | 0.77 | ALDH1A1 (0.40) | PTPN1ALDH1A1MAPTRXFP1MEN1 | |
| SCHEMBL4233 | 0.77 | BACE1 (0.44) | ALDH1A1MAPTSMN1; SMN2KDM4EPOLB | |
| SCHEMBL1883 | 0.75 | RAB9A (0.57) | ALDH1A1MAPTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL1447 | 0.75 | GSK3B (0.42) | PTPN1ALDH1A1MAPTRXFP1SMN1; SMN2 | |
| SCHEMBL27886960 | 0.73 | EDNRB (0.45) | NR1H4ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL8243211 | 0.72 | ALDH1A1 (0.64) | ALDH1A1MAPTRXFP1MEN1KMT2A | |
| SCHEMBL1736 | 0.72 | NR1H4 (0.35) | NR1H4ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL22480523 | 0.71 | NPC1 (0.46) | PTPN1ALDH1A1MAPTSMN1; SMN2KDM4E | |
| Benzene SCHEMBL13719765 | 0.71 | ALDH1A1 (0.36) | PTPN1ALDH1A1MAPTRXFP1SMN1; SMN2 |
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-2007002214-A2 | ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-01-04 | — | — | WO | disclosed |