Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA7 | P43166 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15929799 | 0.83 | KDM4E (0.39) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL15983797 | 0.80 | NFKB1 (0.39) | TSHRRAB9ACA12CA1CA2 | |
| SCHEMBL23234332 | 0.73 | NFKB1 (0.30) | NFKB1NFKB2RELA | |
| SCHEMBL15424788 | 0.73 | NFKB1 (0.50) | TSHRNFKB1NFKB2RELAKMT2A | |
| SCHEMBL15471468 | 0.73 | NFKB1 (0.50) | TSHRNFKB1NFKB2RELAKMT2A | |
| SCHEMBL8947546 | 0.73 | TSHR (0.48) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL28417053 | 0.73 | TSHR (0.48) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL14665944 | 0.72 | TSHR (0.62) | TSHRKMT2AMAPK1HSD17B10TDP1 | |
| SCHEMBL23234171 | 0.72 | CYP1A2 (0.39) | TSHRKDM4ELMNACYP1A2MAPT | |
| SCHEMBL22434843 | 0.71 | TSHR (0.39) | TSHRRAB9ACA12CA1CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6790964-B1 | HYDROXY OR ALKOXY IN THE 5-POSITION; DECYCLIZATION OF A 5-HYDROXY-7- OXABICYCLO(4.1.0)HEPT-2-ENE-3-CARBOXYLATE WITH AN AMINE TO GIVE AMINODIOL, SULFONYLATING, REACTION WITH ALCOHOL; | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 2004-09-14 | — | — | US | disclosed |
| EP-1229022-B1 | PROCESS FOR THE PREPARATION OF 7-AZABICYCLO (4.1.0)-HEPT-3-ENE-3-CARBOXYLIC ACID ESTERS | SAGAMI CHEM RES (JP) | 2004-05-19 | — | — | EP | disclosed |
| EP-1229022-A1 | PROCESS FOR THE PREPARATION OF 7-AZABICYCLO 4.1.0]-HEPT-3-ENE-3-CARBOXYLIC ACID ESTERS | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 2002-08-07 | — | — | EP | disclosed |