Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | GLA | P06280 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL28195038 | 0.83 | HTR2A (0.50) | HTR2AGPR35POLBALDH1A1HPGD | |
| SCHEMBL28248009 | 0.78 | HTR2A (0.48) | HTR2AGPR35POLBALDH1A1HPGD | |
| SCHEMBL10611288 | 0.77 | HTR2A (0.52) | HTR2AGPR35POLBALDH1A1HPGD | |
| SCHEMBL8369219 | 0.75 | POLB (0.47) | HTR2AGPR35POLBALDH1A1HPGD | |
| SCHEMBL28499383 | 0.75 | HTR2A (0.46) | HTR2AGPR35POLBALDH1A1HPGD | |
| SCHEMBL6640971 | 0.74 | HTR2A (0.48) | HTR2AGPR35POLBALDH1A1HPGD | |
| SCHEMBL29136246 | 0.72 | KDM4E (0.42) | POLBALDH1A1HPGDMAPTKDM4E | |
| SCHEMBL6179565 | 0.71 | ALDH1A1 (0.49) | ALDH1A1HPGDMAPTKDM4EHSD17B10 | |
| SCHEMBL6622985 | 0.71 | KDM4E (0.72) | ALDH1A1HPGDMAPTKDM4EHSD17B10 | |
| SCHEMBL5236476 | 0.70 | ALDH1A1 (0.47) | ALDH1A1HPGDMAPTKDM4EHSD17B10 |
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-20100291698-A1 | DETECTION OF NITRO- AND NITRATE-CONTAINING COMPOUNDS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2010-11-18 | — | — | US | claimed |
| WO-2008005096-A2 | DETECTION OF NITRO-AND NITRATE-CONTAINING COMPOUNDS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2008-01-10 | — | — | WO | claimed |