Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 1/20 | 0.59 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.59 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 2/20 | 0.36 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL221689 | 1.00 | CHRNB4 (0.59) | CHRNB4CHRNA3IDO1HTR2CPDPK1 | |
| SCHEMBL30166929 | 1.00 | CHRNB4 (0.59) | CHRNB4CHRNA3IDO1HTR2CPDPK1 | |
| SCHEMBL11704162 | 0.88 | CHRNB4 (0.54) | CHRNB4CHRNA3HTR2CPDPK1 | |
| SCHEMBL2913571 | 0.88 | CHRNB4 (0.54) | CHRNB4CHRNA3HTR2CPDPK1CHRNB2 | |
| SCHEMBL3425103 | 0.87 | CHRNB4 (0.50) | CHRNB4CHRNA3IDO1HTR2CPDPK1 | |
| SCHEMBL6940509 | 0.87 | CHRNB4 (0.50) | CHRNB4CHRNA3IDO1HTR2CPDPK1 | |
| SCHEMBL11704954 | 0.86 | CHRNB4 (0.52) | CHRNB4CHRNA3HTR2C | |
| SCHEMBL11701290 | 0.86 | CHRNB4 (0.52) | CHRNB4CHRNA3HTR2C | |
| SCHEMBL16099720 | 0.85 | CHRNB4 (0.46) | CHRNB4CHRNA3IDO1PDPK1CHRNB2 | |
| Benzoic Acid SCHEMBL11807312 | 0.80 | TSHR (0.56) | CHRNB4CHRNA3AKR1C3AKR1C1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3876928-A2 | INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION | Merck Sharp & Dohme Corp. (US) | 2021-09-15 | — | — | EP | disclosed |