Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 2/20 | 0.57 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.57 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.57 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1068900 | 0.85 | CHRM2 (0.58) | CHRM2CHRM4CHRM1CHRM3CYP2D6 | |
| SCHEMBL3702175 | 0.80 | CHRM2 (0.43) | CHRM2CHRM4CHRM1CHRM3CYP2D6 | |
| SCHEMBL518030 | 0.78 | CHRM2 (0.43) | CHRM2CHRM4CHRM1CHRM3CYP2D6 | |
| SCHEMBL1125265 | 0.74 | PTGS2 (0.47) | TSHRLMNAESR1CYP2C9ALDH1A1 | |
| SCHEMBL6511139 | 0.72 | ESR1 (0.68) | CHRM2CHRM1CYP2D6L3MBTL1SMN1; SMN2 | |
| SCHEMBL3697239 | 0.72 | CHRM2 (0.34) | CHRM2CHRM4CHRM1CHRM3CYP2D6 | |
| SCHEMBL517391 | 0.71 | CYP4F2 (0.39) | CHRM2CHRM4CHRM1CHRM3L3MBTL1 | |
| SCHEMBL5076559 | 0.71 | ELANE (0.46) | CYP2D6L3MBTL1SMN1; SMN2TSHRTDP1 | |
| SCHEMBL3701806 | 0.69 | ESR1 (0.34) | CHRM2CHRM4CHRM1CHRM3CYP2D6 | |
| SCHEMBL8984189 | 0.69 | KMT2A (0.49) | L3MBTL1SMN1; SMN2NPC1RAB9ATSHR |
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-2268625-A1 | OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF | Bayer Schering Pharma Aktiengesellschaft (DE) | 2011-01-05 | — | — | EP | disclosed |