Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.40 |
| ▸ | GAA | P10253 | 10/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.40 |
| ▸ | GLA | P06280 | 9/20 | 0.40 |
| ▸ | MAPT | P10636 | 6/20 | 0.39 |
| ▸ | HPGD | P15428 | 6/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.39 |
| ▸ | CASP1 | P29466 | 4/20 | 0.39 |
| ▸ | CASP7 | P55210 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.35 |
| ▸ | ALPG | P10696 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4073632 | 0.80 | KMT2A (0.43) | ACACBKDM4EALDH1A1HSD17B10KMT2A | |
| SCHEMBL4064262 | 0.77 | ALDH1A1 (0.44) | ACACBKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL16435008 | 0.75 | ACACB (0.43) | ACACBKDM4EGAAALDH1A1GLA | |
| SCHEMBL1286093 | 0.74 | KDR (0.44) | ACACBKDM4EGAAALDH1A1GLA | |
| SCHEMBL12787337 | 0.74 | ACACB (0.41) | ACACBKDM4EALDH1A1HPGDTSHR | |
| SCHEMBL3352484 | 0.71 | ACACB (0.43) | ACACBKDM4EALDH1A1HPGDKMT2A | |
| SCHEMBL1285654 | 0.71 | ACACB (0.39) | ACACBKDM4EALDH1A1HPGDTSHR | |
| SCHEMBL10187968 | 0.71 | ACACB (0.39) | ACACBKDM4EALDH1A1HPGDTSHR | |
| SCHEMBL1285780 | 0.71 | ALDH1A1 (0.41) | ACACBKDM4EGAAALDH1A1GLA | |
| SCHEMBL29951002 | 0.71 | ACACB (0.40) | ACACBKDM4EALDH1A1HPGDHSD17B10 |
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 |