Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.60 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.51 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.51 |
| ▸ | F2 | P00734 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | GRM5 | P41594 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.49 |
| ▸ | CES1 | P23141 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL77341 | 0.86 | CHRNB2 (0.66) | CHRNB2CHRNA4TSHRLMNAMAOB | |
| SCHEMBL15498199 | 0.85 | CHRNB2 (0.73) | CHRNB2CHRNA4TSHRLMNAMAOB | |
| SCHEMBL16178929 | 0.85 | CHRNB2 (0.64) | CHRNB2CHRNA4TSHRLMNAMAOB | |
| SCHEMBL29832812 | 0.85 | CHRNB2 (0.64) | CHRNB2CHRNA4TSHRLMNAMAOB | |
| SCHEMBL5523744 | 0.85 | CHRNB2 (0.64) | CHRNB2CHRNA4TSHRLMNAMAOB | |
| Hydrochloric Acid SCHEMBL10551164 | 0.84 | CHRNB2 (0.62) | CHRNB2CHRNA4TSHRLMNAMAOB | |
| Hydrochloric Acid SCHEMBL10551171 | 0.84 | CHRNB2 (0.62) | CHRNB2CHRNA4TSHRLMNAMAOB | |
| Hydrochloric Acid SCHEMBL10551173 | 0.84 | CHRNB2 (0.62) | CHRNB2CHRNA4TSHRLMNAMAOB | |
| SCHEMBL5518334 | 0.83 | CHRNB2 (0.62) | CHRNB2CHRNA4TSHRLMNAMAOB | |
| SCHEMBL31087898 | 0.83 | CHRNB2 (0.62) | CHRNB2CHRNA4TSHRLMNAMAOB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012042541-A2 | METHOD FOR PREDICTING AND MODELING ANTI-PSYCHOTIC ACTIVITY USING VIRTUAL SCREENING MODEL | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2012-04-05 | — | — | WO | disclosed |