Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | CCR6 | P51684 | 1/20 | 0.46 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL28687431 | 0.84 | CCR6 (0.50) | ALDH1A1KMT2AMAPK1L3MBTL1TDP1 | |
| SCHEMBL13271781 | 0.82 | CCR6 (0.43) | ALDH1A1KMT2AMAPK1L3MBTL1TDP1 | |
| SCHEMBL27577445 | 0.82 | SYK (0.49) | ALDH1A1KMT2AMAPK1L3MBTL1TDP1 | |
| SCHEMBL9354751 | 0.80 | ALDH1A1 (0.55) | ALDH1A1KMT2AMAPK1L3MBTL1TDP1 | |
| SCHEMBL28660255 | 0.80 | KMT2A (0.54) | ALDH1A1KMT2AMAPK1L3MBTL1TDP1 | |
| Hydrochloric Acid SCHEMBL8721704 | 0.80 | ALDH1A1 (0.48) | ALDH1A1KMT2ACCR6PAX8RAB9A | |
| SCHEMBL16665613 | 0.80 | ALDH1A1 (0.58) | ALDH1A1KMT2AMAPK1L3MBTL1TDP1 | |
| SCHEMBL15479668 | 0.80 | ALDH1A1 (0.58) | ALDH1A1KMT2AMAPK1L3MBTL1TDP1 | |
| SCHEMBL10107202 | 0.78 | ALDH1A1 (0.56) | ALDH1A1KMT2AMAPK1L3MBTL1TDP1 | |
| SCHEMBL28422073 | 0.78 | TDP1 (0.54) | ALDH1A1KMT2AMAPK1L3MBTL1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101528264-B | Controlled release of phenolic opioids | PHARMACOFORE INC | 2014-02-26 | — | — | CN | disclosed |
| WO-2011031818-A2 | HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF | SEPRACOR INC. (US) | 2011-03-17 | — | — | WO | disclosed |
| WO-2011031816-A2 | HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF | SEPRACOR INC. (US) | 2011-03-17 | — | — | WO | disclosed |
| CN-101528264-A | Controlled release of phenolic opioids | PHARMACOFORE INC (US) | 2009-09-09 | — | — | CN | disclosed |