Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 11/20 | 0.39 |
| ▸ | MME | P08473 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 2/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3962137 | 0.85 | DHODH (0.43) | ALDH1A1HPGDDHODHMMEHTT | |
| SCHEMBL4240634 | 0.81 | MAPT (0.39) | ALDH1A1 | |
| SCHEMBL3960529 | 0.81 | PARP1 (0.42) | HTTPARP1 | |
| SCHEMBL10288043 | 0.79 | HTT (0.44) | ALDH1A1DHODHHTTPARP1 | |
| SCHEMBL6170448 | 0.76 | KDM4E (0.45) | ALDH1A1HPGDDHODHMMEHTT | |
| SCHEMBL6924904 | 0.74 | DHODH (0.39) | DHODHMMEHTTHSP90AA1ESR2 | |
| SCHEMBL6926116 | 0.74 | SMN1; SMN2 (0.55) | DHODHMME | |
| SCHEMBL6502505 | 0.73 | AR (0.43) | ALDH1A1HPGDDHODHMMEHTT | |
| SCHEMBL1542506 | 0.73 | MAPT (0.37) | ALDH1A1HPGDTDP1 | |
| SCHEMBL6923484 | 0.72 | MCL1 (0.47) | DHODH |
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-2009034029-A2 | 1-SUBSTITUTED 4-HETEROCYCLYLPIPERIDINES FOR USE AS CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-03-19 | — | — | WO | disclosed |