Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 7/20 | 0.54 |
| ▸ | SLC18A1 | P54219 | 1/20 | 0.51 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.51 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | HSD17B3 | P37058 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | CASP1 | P29466 | 3/20 | 0.44 |
| ▸ | CASP7 | P55210 | 3/20 | 0.44 |
| ▸ | GLA | P06280 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15082519 | 0.87 | HSD17B3 (0.61) | MCL1AKR1B1POLBHSD17B3MEN1 | |
| SCHEMBL12433409 | 0.84 | MCL1 (0.57) | MCL1SLC18A1SLC18A2AKR1B1HSD17B3 | |
| SCHEMBL15082522 | 0.83 | MCL1 (0.49) | MCL1AKR1B1POLBHSD17B3MEN1 | |
| SCHEMBL15084987 | 0.83 | POLB (0.51) | MCL1AKR1B1POLBHSD17B3MEN1 | |
| SCHEMBL15084988 | 0.80 | SLC18A1 (0.50) | MCL1SLC18A1SLC18A2AKR1B1POLB | |
| Trifluoroacetic Acid SCHEMBL29369266 | 0.78 | MEN1 (0.50) | MCL1SLC18A1SLC18A2AKR1B1MEN1 | |
| SCHEMBL12433414 | 0.77 | HSD17B3 (0.73) | MCL1SLC18A1SLC18A2AKR1B1HSD17B3 | |
| SCHEMBL12435277 | 0.77 | SLC18A1 (0.52) | SLC18A1SLC18A2HSD17B3MEN1KMT2A | |
| SCHEMBL15084986 | 0.76 | SLC18A1 (0.46) | MCL1SLC18A1SLC18A2AKR1B1POLB | |
| SCHEMBL8706946 | 0.76 | MCL1 (0.72) | MCL1AKR1B1POLBHSD17B3MEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9075014-B2 | pH-responsive fluorescent false neurotransmitters and their use | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2015-07-07 | — | — | US | disclosed |
| US-20130171664-A1 | PH-RESPONSIVE FLUORESCENT FALSE NEUROTRANSMITTERS AND THEIR USE | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK | 2013-07-04 | — | — | US | disclosed |
| WO-2011094560-A1 | PH RESPONSIVE FLUORESCENT FALSE NEUROTRANSMITTERS AND THEIR USE | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2011-08-04 | — | — | WO | disclosed |