Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP2 | O95551 | 2/20 | 0.42 |
| ▸ | CALCRL | Q16602 | 6/20 | 0.41 |
| ▸ | TGM2 | P21980 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | PNMT | P11086 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | TNF | P01375 | 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 | |
|---|---|---|---|---|
| SCHEMBL13055192 | 0.81 | CALCRL (0.44) | CALCRLADRA2APDE7APDE3BPDE3A | |
| SCHEMBL16659357 | 0.81 | TSHR (0.42) | TDP2CALCRLADRA2APNMTADRA2B | |
| SCHEMBL380001 | 0.80 | CALCRL (0.41) | TDP2CALCRLTSHRTDP1CRBN | |
| SCHEMBL1727271 | 0.80 | TDP2 (0.42) | TDP2CALCRLADRA2APNMTADRA2B | |
| SCHEMBL409009 | 0.78 | TSHR (0.47) | CALCRLPDE7ATSHRTDP1CRBN | |
| SCHEMBL1726055 | 0.76 | CALCRL (0.44) | TDP2CALCRLPDE7ATDP1CRBN | |
| SCHEMBL12698577 | 0.76 | CALCRL (0.44) | TDP2CALCRLPDE7ATDP1CRBN | |
| SCHEMBL4629482 | 0.76 | CALCRL (0.51) | CALCRLCRBN | |
| SCHEMBL12660698 | 0.75 | CALCRL (0.45) | TDP2CALCRLPDE7ACRBNPDE3A | |
| SCHEMBL14614757 | 0.75 | CALCRL (0.47) | CALCRLCRBN |
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-2010107605-A1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-09-23 | — | — | WO | disclosed |