Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 2/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL517218 | 0.93 | CHRM2 (0.34) | CHRM2CHRM4CHRM1CHRM3CHRM5 | |
| SCHEMBL517151 | 0.86 | KMT2A (0.37) | CYP2D6KMT2AMAOBALDH1A1GAA | |
| SCHEMBL3703386 | 0.86 | KMT2A (0.32) | KMT2AMAOBALDH1A1GAATHRB | |
| SCHEMBL3691213 | 0.85 | MAOB (0.35) | KMT2AMAOBALDH1A1GAATHRB | |
| SCHEMBL3691767 | 0.85 | KMT2A (0.32) | CYP2D6KMT2AMAOBALDH1A1GAA | |
| SCHEMBL1178303 | 0.84 | KMT2A (0.34) | CYP2D6KMT2AMAOBALDH1A1GAA | |
| SCHEMBL7603996 | 0.84 | KMT2A (0.36) | CYP2D6KMT2AMAOBALDH1A1GAA | |
| SCHEMBL3700165 | 0.83 | KMT2A (0.39) | KMT2AMAOBALDH1A1GAAHTT | |
| SCHEMBL16474230 | 0.82 | AAK1 (0.32) | KMT2AMAOBALDH1A1GAATHRB | |
| SCHEMBL1177873 | 0.80 | KMT2A (0.39) | CYP2D6KMT2AMAOBALDH1A1GAA |
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-2406215-B1 | OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF | BAYER IP GMBH (DE) | 2014-04-16 | — | — | EP | disclosed |