Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPBWR1 | P48145 | 3/20 | 0.42 |
| ▸ | SCD | O00767 | 1/20 | 0.42 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.42 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12050633 | 0.90 | CALCRL (0.50) | NPBWR1SCDCALCRLCHEK2CYP3A4 | |
| SCHEMBL14535757 | 0.78 | NAMPT (0.35) | CALCRLSMN1; SMN2 | |
| SCHEMBL3391601 | 0.76 | DGAT1 (0.53) | NPBWR1CALCRLCHEK2NPC1RAB9A | |
| SCHEMBL12050631 | 0.76 | NPBWR1 (0.51) | NPBWR1CALCRLCHEK2SMN1; SMN2MAPT | |
| SCHEMBL12050621 | 0.75 | CALCRL (0.45) | SCDCALCRLHDAC6CALCA | |
| SCHEMBL12050642 | 0.75 | CALCRL (0.45) | CALCRLCYP3A4MAPTKDM4EALDH1A1 | |
| SCHEMBL12050635 | 0.75 | KDM4E (0.51) | CALCRLCYP3A4MAPTKDM4EALDH1A1 | |
| SCHEMBL12050634 | 0.75 | CALCRL (0.48) | CALCRLSMN1; SMN2MAPTALDH1A1HPGD | |
| SCHEMBL12050622 | 0.70 | CALCRL (0.49) | CALCRLNPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL12990691 | 0.70 | CALCA (0.48) | CALCRLCALCA |
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-2007061676-A2 | SPIROHYDANTOIN ARYL CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2007-05-31 | — | — | WO | disclosed |