Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 4/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.34 |
| ▸ | BCHE | P06276 | 5/20 | 0.32 |
| ▸ | ACHE | P22303 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.31 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.30 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL8578982 | 0.79 | CHRNB2 (0.38) | CHRNB4CHRNA3CHRNB2CHRNA4ALDH1A1 | |
| SCHEMBL6132591 | 0.76 | — | — | |
| Trifluoroacetic Acid SCHEMBL8578978 | 0.76 | CHRNB2 (0.41) | CHRNB4CHRNA3CHRNB2CHRNA4BCHE | |
| SCHEMBL27852284 | 0.76 | DPP4 (0.32) | — | |
| SCHEMBL27852285 | 0.76 | DPP4 (0.32) | — | |
| SCHEMBL12537049 | 0.75 | CHRNB2 (0.52) | CHRNB4CHRNA3CHRNB2CHRNA4BCHE | |
| SCHEMBL27655729 | 0.74 | ALDH1A1 (0.34) | CHRNB4CHRNA3CHRNB2CHRNA4BCHE | |
| SCHEMBL2573230 | 0.73 | — | — | |
| SCHEMBL28853721 | 0.72 | — | — | |
| SCHEMBL9022637 | 0.72 | — | — |
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-5932696-A | REACTING ALKYLATED DIOL WITH CHLOROMETHYL RESIN FOLLOWED BYREACTION WITH CARBONYLDIIMIDAZOLE, SUBSEQUENT ALKYLATION AND SEQUENTIAL TREATMENT AND ACIDIFICATION | WARNER-LAMBERT COMPANY (US) | 1999-08-03 | — | — | US | disclosed |
| US-5869579-A | CHLOROMETHYLATED DIVINYBENZENE-STYRENE RESIN MODIFIED WITH BRANCHED DIOL AND CARBONYLDIIMIDAZOLE; INTERMEDIATES | WARNER-LAMBERT COMPANY (US) | 1999-02-09 | — | — | US | disclosed |