Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPA5 | P11021 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 7/20 | 0.45 |
| ▸ | CA2 | P00918 | 7/20 | 0.45 |
| ▸ | IDO1 | P14902 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 5/20 | 0.43 |
| ▸ | MPO | P05164 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | GMNN | O75496 | 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 | |
|---|---|---|---|---|
| SCHEMBL9026107 | 0.82 | HSPA5 (0.50) | HSPA5CYP2D6TSHRHIF1ATAAR1 | |
| SCHEMBL8931392 | 0.78 | HSPA5 (0.56) | HSPA5CYP2D6TSHRHIF1ATAAR1 | |
| SCHEMBL3071437 | 0.76 | HSPA5 (0.54) | HSPA5CYP2D6TSHRHIF1ATAAR1 | |
| SCHEMBL108067 | 0.76 | GABRA1 (0.64) | HSPA5CYP2D6TSHRHIF1ATAAR1 | |
| SCHEMBL2060682 | 0.76 | HSPA5 (0.54) | HSPA5CYP2D6TSHRHIF1ATAAR1 | |
| SCHEMBL11223294 | 0.76 | HSPA5 (0.54) | HSPA5CYP2D6TSHRHIF1ATAAR1 | |
| Formaldehyde SCHEMBL14742618 | 0.76 | GABRA1 (0.57) | HSPA5CYP2D6TSHRHIF1ATAAR1 | |
| Hydrochloric Acid SCHEMBL11780889 | 0.75 | HSPA5 (0.59) | HSPA5CYP2D6TSHRHIF1ATAAR1 | |
| SCHEMBL3705105 | 0.74 | HSPA5 (0.52) | HSPA5CYP2D6TSHRHIF1ATAAR1 | |
| SCHEMBL983098 | 0.74 | HSPA5 (0.52) | HSPA5CYP2D6TSHRHIF1ATAAR1 |
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-2005122729-A2 | AN IRON SEQUESTERING ANTIMICROBIAL COMPOSITION | EASTMAN KODAK COMPANY (US) | 2005-12-29 | — | — | WO | disclosed |