Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | AHR | P35869 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4852233 | 0.74 | ALDH1A1 (0.50) | CYP1A2MAOAERBB2FYNACHE | |
| SCHEMBL2187057 | 0.73 | TRPM4 (0.56) | CYP1A2ALDH1A1HSD17B10HIF1ACYP1B1 | |
| SCHEMBL4849329 | 0.70 | ALDH1A1 (0.52) | CYP1A2MAOAERBB2FYNACHE | |
| SCHEMBL4851809 | 0.68 | CYP1A2 (0.45) | CYP1A2MAOAERBB2FYNACHE | |
| SCHEMBL4845700 | 0.68 | CYP1A2 (0.61) | CYP1A2MAOAERBB2FYNACHE | |
| SCHEMBL149754 | 0.68 | ALDH1A1 (0.55) | CYP1A2MAOAERBB2FYNACHE | |
| SCHEMBL2837802 | 0.67 | ALDH1A1 (0.48) | CYP1A2MAOAERBB2FYNACHE | |
| SCHEMBL14413715 | 0.67 | ALDH1A1 (0.48) | CYP1A2MAOAERBB2FYNACHE | |
| SCHEMBL4852101 | 0.67 | CYP1A2 (0.54) | CYP1A2MAOAERBB2FYNACHE | |
| SCHEMBL4845223 | 0.67 | CES1 (0.55) | CYP1A2MAOAERBB2FYNACHE |
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 |