Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 8/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 8/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2184468 | 0.86 | CHRNB2 (0.42) | CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1 | |
| SCHEMBL1607872 | 0.79 | CRBN (0.39) | CHRNB2CHRNA4ALDH1A1MAPTRAB9A | |
| SCHEMBL13637616 | 0.78 | CHRNB2 (0.63) | CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1 | |
| SCHEMBL18641519 | 0.77 | — | — | |
| SCHEMBL29112544 | 0.77 | — | — | |
| SCHEMBL10619780 | 0.77 | EPHX1 (0.41) | MAPTRAB9ANPSR1 | |
| SCHEMBL2184403 | 0.75 | SMN1; SMN2 (0.47) | ALDH1A1MAPTRAB9ANPSR1MAPK1 | |
| SCHEMBL28220066 | 0.74 | SMN1; SMN2 (0.43) | ALDH1A1MAPTMAPK1CRBNLMNA | |
| SCHEMBL28346727 | 0.73 | CHRNB2 (0.41) | CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1 | |
| SCHEMBL27575274 | 0.73 | CHRNB2 (0.41) | CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1 |
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-6271279-B1 | FORMING POLYURETHANES FROM DIISOCYANATES AND PROPYLENE GLYCOL OR 1,3-BUTANEDIOL WITH BLOWING AGENT AND CATALYSTS | BAYER CORPORATION | 2001-08-07 | — | — | US | disclosed |