Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 4/20 | 0.71 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.71 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.71 |
| ▸ | TUBB1 | Q9H4B7 | 5/20 | 0.67 |
| ▸ | PDE4A | P27815 | 1/20 | 0.66 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.66 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.66 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.66 |
| ▸ | NQO2 | P16083 | 2/20 | 0.66 |
| ▸ | RELA | Q04206 | 1/20 | 0.66 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.65 |
| ▸ | TUBB | P07437 | 2/20 | 0.65 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.65 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.65 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.65 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.65 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.65 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.65 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.65 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL18270545 | 0.91 | TTR (0.77) | CYP1A1PTGS1PTGS2TUBB1RELA | |
| SCHEMBL9431599 | 0.86 | CYP1A1 (0.80) | CYP1A1PTGS1PTGS2TUBB1NQO2 | |
| SCHEMBL9586847 | 0.86 | CYP1A1 (0.80) | CYP1A1PTGS1PTGS2TUBB1NQO2 | |
| SCHEMBL6447345 | 0.86 | TUBB1 (0.81) | TUBB1NQO2RELATUBB4ATUBB | |
| SCHEMBL6447340 | 0.86 | TUBB1 (0.81) | TUBB1NQO2RELATUBB4ATUBB | |
| SCHEMBL20223708 | 0.86 | CYP1A1 (0.67) | CYP1A1PTGS1PTGS2TUBB1NQO2 | |
| SCHEMBL15151765 | 0.84 | TUBB1 (0.73) | TUBB1NQO2RELATUBB4ATUBB | |
| SCHEMBL17732299 | 0.84 | TTR (0.85) | PTGS1PTGS2RELAABCB1TTR | |
| SCHEMBL671149 | 0.84 | TTR (0.85) | PTGS1PTGS2RELAABCB1TTR | |
| SCHEMBL671150 | 0.84 | TTR (0.85) | PTGS1PTGS2RELAABCB1TTR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106999382-A | Hair deformation process agent | 花王株式会社 | 2017-08-01 | — | — | CN | disclosed |
| CN-101665413-A | 1,2-diphenylethane type urease inhibitor and synthesis and applications thereof | UNIV JISHOU | 2010-03-10 | — | — | CN | disclosed |