Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 8/20 | 0.50 |
| ▸ | CES1 | P23141 | 7/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.41 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17485943 | 0.90 | CES2 (0.56) | CES2CES1MEN1KMT2ALMNA | |
| SCHEMBL7790426 | 0.90 | CES2 (0.56) | CES2CES1MEN1KMT2ALMNA | |
| SCHEMBL7887870 | 0.82 | CES2 (0.75) | CES2CES1MEN1KMT2ALMNA | |
| SCHEMBL5597810 | 0.76 | CYP2C19 (0.54) | CES2CES1MEN1KMT2ALMNA | |
| SCHEMBL5597809 | 0.76 | CYP2C19 (0.54) | CES2CES1MEN1KMT2ALMNA | |
| SCHEMBL20721103 | 0.75 | CYP2C19 (0.50) | CES2CES1MEN1KMT2ALMNA | |
| SCHEMBL18797319 | 0.75 | CYP2C19 (0.50) | CES2CES1MEN1KMT2ALMNA | |
| Dimethylamine SCHEMBL8693347 | 0.75 | CES2 (0.62) | CES2CES1MEN1KMT2ALMNA | |
| SCHEMBL11097665 | 0.75 | CES2 (0.60) | CES2CES1LMNACYP2C19RAB9A | |
| SCHEMBL10981500 | 0.75 | CES2 (0.60) | CES2CES1RAB9ANPC1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1302290-A | Selective anti-mycobacterial preparations, method for producing the same and pharmaceutical compositions | INST ORCH SINTEZA URAL OTDEL R (RU) | 2001-07-04 | — | — | CN | disclosed |
| EP-1081131-A1 | SELECTIVE ANTI-MYCOBACTERIAL PREPARATIONS, METHOD FOR PRODUCING THE SAME AND PHARMACEUTICAL COMPOSITIONS | Institut Organicheskogo Sinteza Uralskogo Otdeleniya Rossiiskoi Akademii Nauck (RU) | 2001-03-07 | — | — | EP | disclosed |