Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CTRC | Q99895 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL27732115 | 0.98 | GPR84 (0.43) | GPR84CYP2A6TDP1CYP1A2ALDH1A1 | |
| SCHEMBL28761411 | 0.87 | CYP2A6 (0.46) | GPR84CYP2A6TDP1CYP1A2ALDH1A1 | |
| SCHEMBL32080 | 0.85 | ESR1 (0.46) | GPR84CYP1A2ALDH1A1HPGDHSD17B10 | |
| Benzene SCHEMBL27418790 | 0.85 | ESR1 (0.46) | GPR84CYP1A2ALDH1A1HPGDHSD17B10 | |
| SCHEMBL31254074 | 0.85 | ESR1 (0.46) | GPR84CYP1A2ALDH1A1HPGDHSD17B10 | |
| SCHEMBL30661015 | 0.85 | ESR1 (0.46) | GPR84CYP1A2ALDH1A1HPGDHSD17B10 | |
| SCHEMBL17442997 | 0.84 | ESR1 (0.42) | GPR84CYP1A2ALDH1A1HPGDHSD17B10 | |
| SCHEMBL49889 | 0.84 | ESR1 (0.44) | GPR84TDP1ALDH1A1HPGDHSD17B10 | |
| SCHEMBL3202035 | 0.84 | ESR1 (0.44) | GPR84TDP1ALDH1A1HPGDHSD17B10 | |
| SCHEMBL28463046 | 0.84 | ESR1 (0.44) | GPR84CYP1A2ALDH1A1HPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103320123-B | A kind of Weak light frequency up-conversion ternary supramolecular composite system | UNIVERSITY OF SCIENCE AND TECHNOLOGY OF SUZHOU (CN) | 2015-10-28 | — | — | CN | disclosed |
| WO-2003062350-A1 | LIQUID SCINTILLATION COUNTING | PACKARD BIOSCIENCE B.V. (NL) | 2003-07-31 | — | — | WO | disclosed |