Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | TLR2 | O60603 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PHGDH | O43175 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.35 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.35 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13601726 | 0.89 | SMN1; SMN2 (0.45) | MAPTHTR1ATDP1CYP1A2GAA | |
| SCHEMBL13601725 | 0.86 | TSHR (0.49) | MAPTHTR1AGAAKDM4ENPC1 | |
| SCHEMBL13601717 | 0.85 | MAPT (0.59) | MAPTHTR1ATDP1CYP1A2GAA | |
| SCHEMBL7034033 | 0.81 | SMN1; SMN2 (0.50) | MAPTHTR1ATDP1CYP1A2GAA | |
| SCHEMBL13601727 | 0.81 | CHRM2 (0.43) | MAPTHTR1ATDP1CYP1A2GAA | |
| SCHEMBL13601676 | 0.79 | MAPT (0.53) | MAPTGAAKDM4ENPC1ALDH1A1 | |
| SCHEMBL13601729 | 0.78 | MAPT (0.39) | MAPTHTR1ATDP1CYP1A2GAA | |
| SCHEMBL12496523 | 0.76 | MAPT (0.67) | MAPTTDP1GAAKDM4EPKM | |
| SCHEMBL16302023 | 0.75 | POLB (0.45) | HTR1ATDP1TLR2ALDH1A1 | |
| SCHEMBL12881482 | 0.74 | GNAI3 (0.42) | MAPTTDP1GAAL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7625886-B2 | Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-12-01 | — | — | US | disclosed |