Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | NPC1 | O15118 | 1/20 | 0.60 |
| ▸ | MITF | O75030 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.54 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.54 |
| ▸ | TACR1 | P25103 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | TRPM8 | Q7Z2W7 | 4/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL10891234 | 0.98 | ALDH1A1 (0.62) | ALDH1A1KDM4EMEN1NPC1MITF | |
| SCHEMBL29479672 | 0.87 | SLC6A2 (0.53) | ALDH1A1KDM4EMEN1NPC1MITF | |
| SCHEMBL11404600 | 0.84 | ALDH1A1 (0.49) | ALDH1A1KDM4EMEN1NPC1MITF | |
| SCHEMBL28902216 | 0.82 | ALDH1A1 (0.45) | ALDH1A1KDM4EMEN1NPC1MITF | |
| SCHEMBL28902217 | 0.82 | ALDH1A1 (0.45) | ALDH1A1KDM4EMEN1NPC1MITF | |
| SCHEMBL28249129 | 0.81 | ALDH1A1 (0.59) | ALDH1A1KDM4EMEN1NPC1MITF | |
| SCHEMBL18569422 | 0.81 | KDM4E (0.72) | ALDH1A1KDM4EMEN1NPC1MITF | |
| SCHEMBL21522910 | 0.81 | ALDH1A1 (0.44) | ALDH1A1KDM4EMEN1NPC1MITF | |
| SCHEMBL21522850 | 0.81 | ALDH1A1 (0.44) | ALDH1A1KDM4EMEN1NPC1MITF | |
| SCHEMBL28514344 | 0.80 | ALDH1A1 (0.46) | ALDH1A1KDM4EMEN1NPC1MITF |
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-1322596-A1 | ZWITTERIONIC TACHYKININ RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2003-07-02 | — | — | EP | disclosed |
| WO-2002024629-A1 | ZWITTERIONIC TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2002-03-28 | — | — | WO | disclosed |