Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | APAF1 | O14727 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16790648 | 0.86 | TP53 (0.43) | TP53PKMBACE1SMN1; SMN2HTT | |
| SCHEMBL15461384 | 0.82 | TP53 (0.49) | TP53PKMSMN1; SMN2HTTCYP3A4 | |
| SCHEMBL9192 | 0.80 | BACE1 (0.33) | TP53PKMBACE1SMN1; SMN2CYP3A4 | |
| SCHEMBL23343732 | 0.77 | TP53 (0.51) | TP53PKMSMN1; SMN2HTTCYP3A4 | |
| SCHEMBL1911527 | 0.74 | FPR2 (0.40) | HTTCYP3A4CYP2C19KMT2AMTNR1A | |
| SCHEMBL23148670 | 0.74 | TP53 (0.43) | TP53PKMBACE1SMN1; SMN2HTT | |
| SCHEMBL17154476 | 0.73 | TP53 (0.45) | TP53PKMBACE1SMN1; SMN2HTT | |
| SCHEMBL25589521 | 0.73 | SMN1; SMN2 (0.46) | TP53PKMSMN1; SMN2HTTCYP3A4 | |
| SCHEMBL13380074 | 0.72 | PDE9A (0.39) | RAB9ANPC1MTNR1AMTNR1B | |
| SCHEMBL26855513 | 0.72 | PDE9A (0.39) | RAB9ANPC1MTNR1AMTNR1B |
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-2504315-A1 | AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE | Amgen Inc. (US) | 2012-10-03 | — | — | EP | disclosed |
| WO-2011063233-A1 | AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE | AMGEN INC. (US) | 2011-05-26 | — | — | WO | disclosed |