Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 4/20 | 0.87 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.71 |
| ▸ | MLNR | O43193 | 1/20 | 0.61 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.61 |
| ▸ | ESR1 | P03372 | 1/20 | 0.61 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.61 |
| ▸ | PGR | P06401 | 1/20 | 0.61 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.61 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.61 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.61 |
| ▸ | HTR1A | P08908 | 1/20 | 0.61 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.61 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.61 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.61 |
| ▸ | DRD2 | P14416 | 1/20 | 0.61 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.61 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.61 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.61 |
| ▸ | MAOA | P21397 | 1/20 | 0.61 |
| ▸ | CNR1 | P21554 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL36192 | 1.00 | LTA4H (0.87) | LTA4HKCNA3MLNRNR1I2ESR1 | |
| Benzene SCHEMBL28132981 | 1.00 | LTA4H (0.87) | LTA4HKCNA3MLNRNR1I2ESR1 | |
| SCHEMBL28109019 | 0.98 | LTA4H (0.83) | LTA4HKCNA3MLNRNR1I2ESR1 | |
| SCHEMBL22319104 | 0.98 | LTA4H (0.83) | LTA4HKCNA3MLNRNR1I2ESR1 | |
| Phosphine SCHEMBL28317749 | 0.98 | LTA4H (0.83) | LTA4HKCNA3MLNRNR1I2ESR1 | |
| SCHEMBL28386097 | 0.98 | LTA4H (0.83) | LTA4HKCNA3MLNRNR1I2ESR1 | |
| Water SCHEMBL27940226 | 0.98 | LTA4H (0.83) | LTA4HKCNA3MLNRNR1I2ESR1 | |
| Methyl Alcohol SCHEMBL27471432 | 0.95 | LTA4H (0.80) | LTA4HKCNA3MLNRNR1I2ESR1 | |
| Ethylene SCHEMBL27389844 | 0.95 | LTA4H (0.80) | LTA4HKCNA3MLNRNR1I2ESR1 | |
| Methoxymethane SCHEMBL27496691 | 0.95 | LTA4H (0.80) | LTA4HKCNA3MLNRNR1I2ESR1 |
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 |