Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.55 |
| ▸ | SCN1A | P35498 | 1/20 | 0.55 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.55 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.55 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.55 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.55 |
| ▸ | RAD52 | P43351 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL1199891 | 0.95 | SMPD1 (0.56) | CYP1A2TSHRCYP2D6SLC6A2SCN1A | |
| SCHEMBL1201551 | 0.94 | SMPD1 (0.58) | HSD17B2NPC1HPGDRAB9AESR1 | |
| SCHEMBL13461275 | 0.93 | HSD17B2 (0.52) | CYP1A2TSHRCYP2D6SLC6A2SCN1A | |
| SCHEMBL8320092 | 0.93 | HSD17B2 (0.62) | TSHRHSD17B2SMN1; SMN2NPC1HPGD | |
| SCHEMBL300248 | 0.89 | HSD17B2 (0.54) | CYP1A2TSHRCYP2D6SLC6A2SCN1A | |
| SCHEMBL3480225 | 0.89 | HSD17B2 (0.54) | CYP1A2TSHRCYP2D6SLC6A2SCN1A | |
| SCHEMBL13529207 | 0.89 | SMPD1 (0.56) | HSD17B2HDAC3HDAC1HDAC2SMPD1 | |
| SCHEMBL3480129 | 0.88 | HSD17B2 (0.52) | CYP1A2TSHRCYP2D6SLC6A2SCN1A | |
| SCHEMBL8071707 | 0.88 | CA12 (0.62) | CYP1A2TSHRCYP2D6SLC6A2SCN1A | |
| SCHEMBL8085911 | 0.88 | NPC1 (0.59) | CYP1A2TSHRCYP2D6SLC6A2SCN1A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004009094-A1 | METHODS AND COMPOSITIONS FOR TREATING DIABETES MELLITIS | OHIO UNIVERSITY (US) | 2004-01-29 | — | — | WO | disclosed |