Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | F3 | P13726 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL28175288 | 0.73 | CYP1A2 (0.34) | CYP1A2NFKB1NFKB2RELAF3 | |
| SCHEMBL11052959 | 0.70 | TDP1 (0.37) | CYP1A2NFKB1NFKB2RELAF3 | |
| SCHEMBL4738663 | 0.66 | GSK3A (0.31) | CYP3A4 | |
| SCHEMBL11383241 | 0.66 | MEN1 (0.31) | MEN1KMT2AALDH1A1 | |
| SCHEMBL11074889 | 0.66 | — | — | |
| SCHEMBL6745371 | 0.65 | ALDH1A1 (0.37) | CYP1A2NFKB1NFKB2RELAF3 | |
| SCHEMBL28066368 | 0.62 | CYP1A2 (0.44) | CYP1A2F3ALDH1A1HTT | |
| Methylamine SCHEMBL28226585 | 0.62 | ALDH1A1 (0.35) | CYP1A2NFKB1NFKB2RELAF3 | |
| SCHEMBL28248584 | 0.61 | ALDH1A1 (0.35) | CYP1A2NFKB1NFKB2RELAF3 | |
| SCHEMBL9407205 | 0.61 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0232256-A1 | METHOD FOR SEALING ELECTRICAL DEVICES | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1987-08-19 | — | — | EP | disclosed |
| WO-1987000983-A1 | METHOD FOR SEALING ELECTRICAL DEVICES | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1987-02-12 | — | — | WO | disclosed |
| US-4640978-A | REMOVABLE POLYISOCYANURATE | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1987-02-03 | — | — | US | disclosed |