Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | JAK1 | P23458 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6412990 | 0.86 | CYP2C19 (0.41) | TSHRGAACYP2C19HPGDKMT2A | |
| SCHEMBL6417720 | 0.83 | ALDH1A1 (0.58) | TSHRCYP2C19HPGDKMT2AALDH1A1 | |
| SCHEMBL6409697 | 0.83 | TSHR (0.48) | TSHRGAACYP2C19HPGDKMT2A | |
| SCHEMBL6410244 | 0.80 | MAPK1 (0.44) | TSHRGAACYP2C19KMT2AALDH1A1 | |
| SCHEMBL6410267 | 0.80 | MAPT (0.47) | TSHRGAACYP2C19HPGDALDH1A1 | |
| SCHEMBL6412249 | 0.79 | JAK2 (0.43) | GAAKMT2AALDH1A1NPSR1JAK2 | |
| SCHEMBL6411506 | 0.79 | P2RX7 (0.41) | HPGDALDH1A1NPSR1MAPTHSD17B10 | |
| SCHEMBL6409878 | 0.76 | KMT2A (0.52) | TSHRGAAKMT2AALDH1A1MAPT | |
| SCHEMBL2403146 | 0.76 | CYP2C19 (0.43) | TSHRGAACYP2C19HPGDKMT2A | |
| SCHEMBL6409449 | 0.76 | CYP2C19 (0.49) | GAACYP2C19KMT2AALDH1A1PKM |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1401841-B1 | SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN | GRUENENTHAL GMBH (DE) | 2005-08-24 | — | — | EP | disclosed |