Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.39 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.38 |
| ▸ | BCL2 | P10415 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | RARB | P10826 | 2/20 | 0.37 |
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
| ▸ | RXRB | P28702 | 1/20 | 0.37 |
| ▸ | EDNRB | P24530 | 1/20 | 0.36 |
| ▸ | EDNRA | P25101 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16807136 | 0.92 | MCL1 (0.48) | TSHRCYP4F2CYP4A11MCL1CA2 | |
| SCHEMBL16807084 | 0.92 | BACE1 (0.41) | TSHRCYP4F2CYP4A11EGFRHSD17B1 | |
| SCHEMBL16807143 | 0.90 | CYP4A11 (0.44) | CYP4F2CYP4A11MCL1CA2RARB | |
| SCHEMBL16807129 | 0.90 | FFAR1 (0.43) | TSHRCYP4F2CYP4A11MCL1HSD17B1 | |
| SCHEMBL16807111 | 0.90 | ALOX5 (0.43) | TSHRCYP4F2CYP4A11EGFRHSD17B1 | |
| SCHEMBL16807147 | 0.89 | RARB (0.50) | CA2RARB | |
| SCHEMBL16807135 | 0.89 | CYP4A11 (0.45) | CYP4F2CYP4A11MCL1CA2RARB | |
| SCHEMBL15829720 | 0.88 | RARB (0.51) | TSHREGFRRARB | |
| SCHEMBL16807139 | 0.88 | RARB (0.45) | TSHRCYP4F2CYP4A11CA2RARB | |
| SCHEMBL16807155 | 0.86 | RARB (0.53) | TSHREGFRS1PR1RARB |
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 |
|---|---|---|---|---|---|---|---|
| US-20150166890-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2015-06-18 | — | — | US | disclosed |
| US-20150166890-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2015-06-18 | — | — | US | disclosed |