Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGK1 | P00558 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.30 |
| ▸ | GHSR | Q92847 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | DHFR | P00374 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | HEXA | P06865 | 1/20 | 0.30 |
| ▸ | HEXB | P07686 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL19017858 | 0.87 | KDM4E (0.39) | MEN1ALDH1A1LMNACYP1A2CYP2C9 | |
| SCHEMBL13826809 | 0.83 | EGFR (0.32) | PGK1MEN1KMT2A | |
| SCHEMBL15468875 | 0.74 | CYP3A4 (0.37) | CYP3A4 | |
| SCHEMBL13826238 | 0.74 | CYP3A4 (0.44) | CYP3A4 | |
| SCHEMBL19017852 | 0.69 | GAA (0.32) | MEN1ALDH1A1LMNACYP1A2CYP2C9 | |
| SCHEMBL19017856 | 0.67 | KDM4E (0.45) | MEN1ALDH1A1LMNACYP1A2CYP2C9 | |
| SCHEMBL20020769 | 0.67 | KDM4E (0.45) | MEN1ALDH1A1LMNAKMT2ASMN1; SMN2 | |
| SCHEMBL19017857 | 0.67 | PTGDR2 (0.44) | MEN1ALDH1A1TP53CYP1A2CYP2C9 | |
| SCHEMBL19906040 | 0.66 | KCNH2 (0.32) | KCNH2 | |
| SCHEMBL27928087 | 0.65 | POLB (0.45) | KCNH2MEN1SLC22A1ALDH1A1DHFR |
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-3181555-A1 | BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE | Gilead Sciences, Inc. (US) | 2017-06-21 | — | — | EP | disclosed |