Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 6/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 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 | |
|---|---|---|---|---|
| SCHEMBL7199227 | 0.81 | CYP1A2 (0.42) | TLR4HTT | |
| SCHEMBL10951588 | 0.77 | TLR4 (0.33) | TLR4 | |
| SCHEMBL11530119 | 0.71 | CA1 (0.40) | TLR4HTTCA1CA2CA4 | |
| SCHEMBL3626066 | 0.70 | — | — | |
| SCHEMBL15727864 | 0.70 | — | — | |
| SCHEMBL8020205 | 0.70 | CYP1A2 (0.43) | HTT | |
| SCHEMBL8020201 | 0.70 | CYP1A2 (0.43) | HTT | |
| SCHEMBL7718731 | 0.70 | CYP1A2 (0.43) | HTT | |
| SCHEMBL11523386 | 0.69 | TLR4 (0.46) | TLR4HTT | |
| SCHEMBL9000000 | 0.67 | CYP1A2 (0.45) | HTT |
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 |
|---|---|---|---|---|---|---|---|
| US-6087401-A | HEATING URONIC ACID COMPOUND | TAKARA SHUZO CO., LTD. (JP) | 2000-07-11 | — | — | US | disclosed |
| EP-0941981-A1 | CYCLOPENTENONES, PROCESS FOR PREPARING THE SAME, AND THE USE THEREOF | Takara Shuzo Co, Ltd. (JP) | 1999-09-15 | — | — | EP | disclosed |