Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA3 | P07451 | 2/20 | 0.35 |
| ▸ | CA4 | P22748 | 2/20 | 0.35 |
| ▸ | CA6 | P23280 | 2/20 | 0.35 |
| ▸ | CA5A | P35218 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.35 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 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 | |
|---|---|---|---|---|
| SCHEMBL6294143 | 1.00 | NFKB1 (0.38) | NFKB1CA12CA1CA2CA3 | |
| SCHEMBL5238398 | 0.83 | NFKB1 (0.30) | NFKB1 | |
| SCHEMBL4693105 | 0.75 | NFKB1 (0.33) | NFKB1CA12CA1CA2CA3 | |
| SCHEMBL19253566 | 0.75 | NFKB1 (0.33) | NFKB1CA12CA1CA2CA3 | |
| SCHEMBL22705023 | 0.69 | NFKB1 (0.40) | NFKB1CA12CA1CA2CA3 | |
| SCHEMBL62173 | 0.67 | NFKB1 (0.46) | NFKB1CA12CA1CA2CA3 | |
| SCHEMBL23716689 | 0.65 | — | — | |
| SCHEMBL20391865 | 0.65 | CHRM2 (0.46) | NFKB1CA12CA1CA2CA3 | |
| SCHEMBL13913105 | 0.65 | LCK (0.48) | NFKB1CA12CA1CA2CA3 | |
| SCHEMBL636385 | 0.65 | CHRM2 (0.45) | NFKB1CA12CA1CA2CA3 |
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-5750788-A | Preparation of amines from compounds having at least 3 cyano groups | BASF AKTIENGESELLSCHAFT (DE) | 1998-05-12 | — | — | US | disclosed |