Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | GFER | P55789 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | CTSD | P07339 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MITF | O75030 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | PTPRC | P08575 | 1/20 | 0.37 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | PTPRA | P18433 | 1/20 | 0.37 |
| ▸ | PTPRB | P23467 | 1/20 | 0.37 |
| ▸ | PTPRE | P23469 | 1/20 | 0.37 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21592065 | 0.82 | PTPRC (0.40) | ALDH1A1MAPTKDM4EGAAMEN1 | |
| SCHEMBL15471934 | 0.80 | KDM4E (0.44) | ALDH1A1GFERMAPTKDM4EGAA | |
| SCHEMBL1974542 | 0.79 | ALDH1A1 (0.48) | ALDH1A1GFERMAPTKDM4EGAA | |
| SCHEMBL2721634 | 0.78 | MAPT (0.53) | ALDH1A1GFERMAPTKDM4EGAA | |
| SCHEMBL21592068 | 0.77 | PTPRC (0.49) | ALDH1A1KDM4EPTPRCPTPN2PTPN1 | |
| SCHEMBL17184754 | 0.77 | ALDH1A1 (0.40) | ALDH1A1GFERMAPTKDM4EGAA | |
| SCHEMBL15471931 | 0.76 | ALDH1A1 (0.44) | ALDH1A1GFERMAPTKDM4EGAA | |
| SCHEMBL15471933 | 0.76 | ALDH1A1 (0.68) | ALDH1A1GFERMAPTKDM4EGAA | |
| SCHEMBL8219059 | 0.75 | CTSD (0.58) | ALDH1A1GFERMAPTKDM4EGAA | |
| SCHEMBL9117052 | 0.73 | PTPRC (0.49) | ALDH1A1KDM4EPTPRCPTPN2PTPN1 |
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-2015161011-A1 | BENZAMIDE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-10-22 | — | — | WO | disclosed |