Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | BLM | P54132 | 3/20 | 0.47 |
| ▸ | SPR | P35270 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 3/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL19846981 | 0.88 | SLC22A6 (0.64) | SLC22A6NPSR1ALDH1A1KDM4EBLM | |
| SCHEMBL28918308 | 0.81 | HTR1A (0.50) | SLC22A6NPSR1ALDH1A1KDM4EBLM | |
| SCHEMBL28034308 | 0.81 | NPSR1 (0.50) | SLC22A6NPSR1ALDH1A1KDM4EBLM | |
| SCHEMBL125250 | 0.80 | SLC22A6 (0.76) | SLC22A6ALDH1A1KDM4EBLMHPGD | |
| SCHEMBL4626534 | 0.76 | NR4A2 (0.52) | SLC22A6ALDH1A1KDM4EHPGDMAPT | |
| SCHEMBL21809188 | 0.76 | PBRM1 (0.61) | NPSR1ALDH1A1KDM4EBLMSPR | |
| SCHEMBL9012528 | 0.75 | NR4A2 (0.54) | SLC22A6ALDH1A1SPRIDO1HTR2A | |
| SCHEMBL9117858 | 0.72 | SLC22A6 (0.64) | SLC22A6ALDH1A1KDM4EHPGDLMNA | |
| SCHEMBL7725553 | 0.71 | SLC22A6 (0.62) | SLC22A6KDM4EIDO1HTR2AHSD17B10 | |
| SCHEMBL14575156 | 0.71 | SLC22A6 (0.62) | SLC22A6ALDH1A1KDM4EHPGDIDO1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9673030-B2 | Computer readable storage mediums, methods and systems for normalizing chemical profiles in biological or medical samples detected by mass spectrometry | EMORY UNIVERSITY (US) | 2017-06-06 | — | — | US | disclosed |
| US-20110282587-A1 | COMPUTER READABLE STORAGE MEDIUMS, METHODS AND SYSTEMS FOR NORMALIZING CHEMICAL PROFILES IN BIOLOGICAL OR MEDICAL SAMPLES DETECTED BY MASS SPECTROMETRY | EMORY UNIVERSITY (US) | 2011-11-17 | — | — | US | disclosed |