Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | CES2 | O00748 | 1/20 | 0.66 |
| ▸ | CES1 | P23141 | 1/20 | 0.66 |
| ▸ | TP53 | P04637 | 1/20 | 0.64 |
| ▸ | MAPT | P10636 | 5/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.61 |
| ▸ | MEN1 | O00255 | 3/20 | 0.61 |
| ▸ | POLB | P06746 | 2/20 | 0.61 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.61 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.54 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.54 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL4721013 | 0.86 | CES2 (0.70) | TSHRALDH1A1CES2CES1TP53 | |
| SCHEMBL7656493 | 0.86 | CES2 (0.70) | TSHRALDH1A1CES2CES1TP53 | |
| SCHEMBL828959 | 0.84 | TSHR (0.69) | TSHRALDH1A1CES2CES1TP53 | |
| SCHEMBL17297123 | 0.83 | TSHR (0.67) | TSHRALDH1A1CES2CES1TP53 | |
| SCHEMBL31103641 | 0.83 | MEN1 (0.76) | TSHRALDH1A1CES2CES1TP53 | |
| SCHEMBL7013007 | 0.83 | CES2 (0.66) | TSHRALDH1A1CES2CES1TP53 | |
| SCHEMBL19285363 | 0.83 | CES2 (0.66) | TSHRALDH1A1CES2CES1TP53 | |
| SCHEMBL27903047 | 0.83 | CES2 (0.66) | TSHRALDH1A1CES2CES1TP53 | |
| SCHEMBL1572442 | 0.83 | MEN1 (0.76) | TSHRALDH1A1CES2CES1TP53 | |
| SCHEMBL6965282 | 0.83 | CES2 (0.66) | TSHRALDH1A1CES2CES1TP53 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1199396-A | Novel azepanes and their ring homologues for therapy and prophylaxis of protein kinase mediated diseases | HOFFMANN LA ROCHE (CH) | 1998-11-18 | — | — | CN | claimed |
| WO-2020132582-A1 | STING AGONISTS AND USES THEREOF | NIMBUS TITAN, INC. (US) | 2020-06-25 | — | — | WO | disclosed |
| CN-104030987-A | DIHYDROOROTATE DEHYDROGENASE INHIBITORS | MERCK SERONO SA | 2014-09-10 | — | — | CN | disclosed |
| EP-2240485-A1 | TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Takeda Pharmaceutical Company Limited (JP) | 2010-10-20 | — | — | EP | disclosed |
| WO-2009093747-A1 | TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-07-30 | — | — | WO | disclosed |
| EP-0517871-A1 | NOVEL NITROANILIDES AND THEIR PREPARATION. | KODAK LTD (GB) | 1992-12-16 | — | — | EP | disclosed |
| WO-1992011230-A1 | NOVEL NITROANILIDES AND THEIR PREPARATION | KODAK LIMITED (GB) | 1992-07-09 | — | — | WO | disclosed |