Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.35 |
| ▸ | ESR1 | P03372 | 3/20 | 0.35 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | WEE1 | P30291 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | USP7 | Q93009 | 1/20 | 0.33 |
| ▸ | PLG | P00747 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12105263 | 0.80 | CHRNB2 (0.50) | CHRNB2CHRNA4DYRK1A | |
| SCHEMBL11804727 | 0.78 | HTR2C (0.36) | PLG | |
| Bromide SCHEMBL1206747 | 0.78 | CHRNB2 (0.49) | CHRNB2CHRNA4DYRK1A | |
| SCHEMBL11806625 | 0.77 | HPGD (0.42) | KDM4EALDH1A1 | |
| SCHEMBL16758747 | 0.73 | HSD11B1 (0.34) | CA1CA2 | |
| SCHEMBL19956276 | 0.70 | PLG (0.40) | CHRNB2CHRNA4ESR2ALDH1A1MAOA | |
| SCHEMBL9549889 | 0.67 | CHRNB2 (0.39) | CHRNB2CHRNA4DYRK1AESR2ESR1 | |
| SCHEMBL1396406 | 0.67 | CHRNB2 (0.39) | CHRNB2CHRNA4ESR2ESR1MAOA | |
| SCHEMBL16758746 | 0.67 | CHRNB2 (0.36) | CHRNB2CHRNA4 | |
| SCHEMBL11804649 | 0.65 | OPRK1 (0.48) | — |
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-3936462-A | CNS DEPRESSANT, ANALGESIC | STERLING DRUG INC. (US) | 1976-02-03 | — | — | US | disclosed |