Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 3/20 | 0.49 |
| ▸ | RAMP1 | O60894 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | HTR2B | P41595 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.43 |
| ▸ | ACACB | O00763 | 1/20 | 0.43 |
| ▸ | ACACA | Q13085 | 1/20 | 0.43 |
| ▸ | MGLL | Q99685 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3278017 | 0.84 | CALCRL (0.55) | CALCRLRAMP1L3MBTL1L3MBTL3ACACB | |
| SCHEMBL12622796 | 0.79 | CALCRL (0.53) | CALCRLRAMP1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL13313602 | 0.76 | CALCRL (0.47) | CALCRLRAMP1SMN1; SMN2HTR2B | |
| SCHEMBL12400695 | 0.76 | CALCRL (0.47) | CALCRLRAMP1NPC1RAB9A | |
| SCHEMBL13907972 | 0.76 | CALCRL (0.47) | CALCRLRAMP1SMN1; SMN2HTR2BMEN1 | |
| SCHEMBL4079747 | 0.76 | CALCRL (0.48) | CALCRLRAMP1 | |
| Bicarbonate SCHEMBL5261153 | 0.75 | NSD3 (0.50) | CALCRLRAMP1HTR2BMEN1KMT2A | |
| SCHEMBL13801339 | 0.75 | CALCRL (0.46) | CALCRLRAMP1HTR2B | |
| SCHEMBL17803249 | 0.75 | CTSS (0.52) | CALCRLRAMP1SMN1; SMN2L3MBTL1L3MBTL3 | |
| SCHEMBL12219072 | 0.74 | HPGD (0.46) | CALCRLRAMP1SMN1; SMN2HTR2BMEN1 |
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-2016022644-A1 | HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-02-11 | — | — | WO | disclosed |