Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.45 |
| ▸ | CCR6 | P51684 | 1/20 | 0.44 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL23944461 | 0.86 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2TDP1MAPK1L3MBTL1 | |
| SCHEMBL2187788 | 0.81 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2TDP1MAPK1L3MBTL1 | |
| SCHEMBL3176958 | 0.81 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2TDP1MAPK1L3MBTL1 | |
| SCHEMBL250619 | 0.80 | ALDH1A1 (0.60) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL2188086 | 0.80 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2TDP1MAPK1L3MBTL1 | |
| SCHEMBL668388 | 0.80 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2TDP1MAPK1L3MBTL1 | |
| SCHEMBL26945299 | 0.79 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2TDP1MAPK1L3MBTL1 | |
| SCHEMBL189776 | 0.79 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2TDP1MAPK1L3MBTL1 | |
| Benzyl Dimethylcarbamate SCHEMBL14031385 | 0.78 | ALDH1A1 (0.62) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| Benzyl Dimethylcarbamate SCHEMBL5134244 | 0.78 | ALDH1A1 (0.62) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2120965-A1 | N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES | Novabay Pharmaceuticals, Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008083347-A1 | N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES | NOVABAY PHARMACEUTICALS, INC. (US) | 2008-07-10 | — | — | WO | disclosed |