Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DCPS | Q96C86 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SGMS2 | Q8NHU3 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.37 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20195660 | 0.84 | ALDH1A1 (0.51) | DCPSALDH1A1KMT2ACHRNB2CHRNA4 | |
| SCHEMBL16920890 | 0.77 | MAPT (0.39) | ALDH1A1CYP1A2CYP2C9CYP2C19RAB9A | |
| SCHEMBL18831500 | 0.77 | TP53 (0.48) | DCPSALDH1A1KMT2ANPC1RAB9A | |
| SCHEMBL20195569 | 0.76 | DCPS (0.43) | DCPSALDH1A1SGMS2CHRNB2CHRNA4 | |
| SCHEMBL16920886 | 0.75 | MRGPRX4 (0.47) | KMT2ANPC1RAB9A | |
| SCHEMBL18831608 | 0.74 | MRGPRX4 (0.39) | — | |
| SCHEMBL16920887 | 0.73 | MRGPRX4 (0.49) | ALDH1A1KMT2ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL17788191 | 0.73 | MRGPRX4 (0.41) | DCPSRAB9A | |
| SCHEMBL17788187 | 0.73 | MRGPRX4 (0.40) | ALDH1A1 | |
| SCHEMBL18831622 | 0.73 | SLC22A12 (0.38) | RAB9A |
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-3029035-B1 | TETRAZOLINONE COMPOUND, AND USE THEREOF | SUMITOMO CHEMICAL CO (JP) | 2018-05-30 | — | — | EP | disclosed |