Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | CALCRL | Q16602 | 15/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CALCA | P06881 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12050644 | 0.86 | CALCRL (0.49) | MAPTRAB9ASMN1; SMN2LMNAHTT | |
| SCHEMBL12050632 | 0.82 | CALCRL (0.50) | CALCRLCALCA | |
| SCHEMBL12060842 | 0.81 | CALCRL (0.55) | CALCRLCALCA | |
| SCHEMBL12061379 | 0.79 | CALCRL (0.53) | CALCRLCALCA | |
| SCHEMBL12050171 | 0.79 | CALCRL (0.53) | CALCRLCALCA | |
| SCHEMBL12050294 | 0.79 | CALCRL (0.60) | CALCRLCALCA | |
| SCHEMBL12050418 | 0.78 | CALCRL (0.57) | MAPTCALCRLALDH1A1CALCA | |
| SCHEMBL12050163 | 0.78 | CALCRL (0.54) | CALCRLCALCA | |
| SCHEMBL12050415 | 0.76 | CALCRL (0.61) | CALCRLALDH1A1CALCA | |
| SCHEMBL13083797 | 0.76 | MAPT (0.51) | MAPTRAB9ASMN1; SMN2LMNAHTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1951251-B1 | SPIROHYDANTOIN ARYL CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2010-12-29 | — | — | EP | disclosed |
| WO-2007061676-A2 | SPIROHYDANTOIN ARYL CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2007-05-31 | — | — | WO | disclosed |