Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA3 | P07451 | 2/20 | 0.33 |
| ▸ | CA4 | P22748 | 2/20 | 0.33 |
| ▸ | CA6 | P23280 | 2/20 | 0.33 |
| ▸ | CA5A | P35218 | 2/20 | 0.33 |
| ▸ | CA7 | P43166 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CA11 | O75493 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10568843 | 0.81 | CYP3A4 (0.56) | CYP3A4CA12CA1CA2CA3 | |
| SCHEMBL11800909 | 0.80 | CYP3A4 (0.55) | CYP3A4CA12CA1CA2CA3 | |
| SCHEMBL11562967 | 0.80 | CYP3A4 (0.55) | CYP3A4CA12CA1CA2CA3 | |
| SCHEMBL10823739 | 0.80 | CYP3A4 (0.59) | CYP3A4CA12CA1CA2CA3 | |
| SCHEMBL11560822 | 0.80 | CYP3A4 (0.55) | CYP3A4CA12CA1CA2CA3 | |
| SCHEMBL8539346 | 0.78 | CYP3A4 (0.54) | CYP3A4CA12CA1CA2CA3 | |
| SCHEMBL134172 | 0.78 | CYP3A4 (0.54) | CYP3A4CA12CA1CA2CA3 | |
| SCHEMBL11563590 | 0.75 | CYP3A4 (0.50) | CYP3A4CA12CA1CA2CA3 | |
| SCHEMBL11620991 | 0.75 | CYP3A4 (0.50) | CYP3A4CA12CA1CA2CA3 | |
| SCHEMBL11560409 | 0.75 | CYP3A4 (0.50) | CYP3A4MEN1THRBKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-4073793-A | HERBICIDES | SCHERING AKTIENGESELLSCHAFT (DT) | 1978-02-14 | — | — | US | disclosed |