Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | CTRC | Q99895 | 1/20 | 0.37 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.34 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.33 |
| ▸ | PTGFR | P43088 | 1/20 | 0.33 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.33 |
| ▸ | PTGER2 | P43116 | 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 | |
|---|---|---|---|---|
| SCHEMBL670906 | 0.78 | NOTUM (0.42) | ALOX5ADORA2AADORA1IKBKB | |
| SCHEMBL952623 | 0.76 | MPO (0.37) | MPOALOX5CHEK2CYP2D6NFKB1 | |
| SCHEMBL6775919 | 0.74 | DHFR (0.42) | ALOX5NFKB1ADORA2AADORA1IKBKB | |
| SCHEMBL1247974 | 0.72 | CYP2D6 (0.46) | MPOALOX5CYP2D6NFKB1TAAR1 | |
| SCHEMBL949314 | 0.71 | INSR (0.44) | ADORA2AADORA1 | |
| SCHEMBL949966 | 0.71 | MC5R (0.36) | HDAC1 | |
| SCHEMBL22666679 | 0.70 | ALOX5 (0.53) | MPOALOX5CTRCCYP2D6NFKB1 | |
| SCHEMBL21371042 | 0.70 | ALOX5 (0.50) | MPOALOX5CTRCCYP2D6NFKB1 | |
| Hydrochloric Acid SCHEMBL16176998 | 0.69 | TDP1 (0.46) | NFKB1 | |
| SCHEMBL6955273 | 0.68 | CALM1 (0.43) | — |
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-2011006935-A2 | TETRAZOLE DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-01-20 | — | — | WO | disclosed |