Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.86 |
| ▸ | MAPT | P10636 | 5/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.67 |
| ▸ | MEN1 | O00255 | 1/20 | 0.67 |
| ▸ | LMNA | P02545 | 1/20 | 0.62 |
| ▸ | CA12 | O43570 | 3/20 | 0.61 |
| ▸ | CA1 | P00915 | 3/20 | 0.61 |
| ▸ | CA2 | P00918 | 3/20 | 0.61 |
| ▸ | CA9 | Q16790 | 3/20 | 0.61 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.61 |
| ▸ | ESR1 | P03372 | 2/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.56 |
| ▸ | APP | P05067 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | MGAM | O43451 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL595873 | 1.00 | ALDH1A1 (0.86) | ALDH1A1MAPTKMT2AMEN1LMNA | |
| Ammonia Solution, Strong SCHEMBL1663962 | 0.98 | ALDH1A1 (0.82) | ALDH1A1MAPTKMT2AMEN1LMNA | |
| 4-Nitroaniline SCHEMBL13529022 | 0.93 | ALDH1A1 (1.00) | ALDH1A1MAPTKMT2AMEN1LMNA | |
| 4-Nitroaniline SCHEMBL16451 | 0.93 | ALDH1A1 (1.00) | ALDH1A1MAPTKMT2AMEN1LMNA | |
| SCHEMBL9065915 | 0.93 | ALDH1A1 (1.00) | ALDH1A1MAPTKMT2AMEN1LMNA | |
| 4-Nitroaniline SCHEMBL27963818 | 0.93 | ALDH1A1 (1.00) | ALDH1A1MAPTKMT2AMEN1LMNA | |
| Biphenyl-4-Amine SCHEMBL27950706 | 0.92 | ALDH1A1 (0.72) | ALDH1A1MAPTKMT2AMEN1LMNA | |
| 4-Nitroaniline SCHEMBL7158091 | 0.90 | ALDH1A1 (0.95) | ALDH1A1MAPTKMT2AMEN1LMNA | |
| 4-Nitroaniline SCHEMBL21825602 | 0.90 | ALDH1A1 (0.95) | ALDH1A1MAPTKMT2AMEN1LMNA | |
| 4-Nitroaniline SCHEMBL6956705 | 0.90 | ALDH1A1 (0.95) | ALDH1A1MAPTKMT2AMEN1LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5035839-A | Compositions forming hydrogen bridges | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-07-30 | — | — | US | claimed |
| US-5139696-A | Hydrogen-bonded liquid crystal complexes | CORNELL RESEARCH FOUNDATION, INC. (US) | 1992-08-18 | — | — | US | disclosed |
| EP-0303644-A1 | HYDROGEN BOND-FORMING COMPOSITIONS | MERCK PATENT GmbH (DE) | 1989-02-22 | — | — | EP | disclosed |
| WO-1988006304-A1 | HYDROGEN BOND-FORMING COMPOSITIONS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1988-08-25 | — | — | WO | disclosed |