Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPA5 | P11021 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 6/20 | 0.39 |
| ▸ | CA2 | P00918 | 6/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 5/20 | 0.38 |
| ▸ | MPO | P05164 | 2/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL6535097 | 0.81 | TAAR1 (0.47) | HSPA5TSHRCYP2D6HIF1ATAAR1 | |
| SCHEMBL9757447 | 0.79 | HSPA5 (0.50) | HSPA5TSHRCYP2D6HIF1ATAAR1 | |
| SCHEMBL6534990 | 0.78 | MPO (0.45) | HSPA5TSHRCYP2D6HIF1ATAAR1 | |
| SCHEMBL6535029 | 0.77 | MGLL (0.44) | HSPA5TSHRCYP2D6HIF1ATAAR1 | |
| SCHEMBL7996173 | 0.75 | MGLL (0.46) | HSPA5TSHRCYP2D6HIF1ATAAR1 | |
| SCHEMBL7984588 | 0.75 | MGLL (0.46) | HSPA5TSHRCYP2D6HIF1ATAAR1 | |
| SCHEMBL7996301 | 0.75 | MGLL (0.46) | HSPA5TSHRCYP2D6HIF1ATAAR1 | |
| SCHEMBL27698935 | 0.75 | HSPA5 (0.50) | HSPA5TSHRCYP2D6HIF1ATAAR1 | |
| SCHEMBL27679836 | 0.75 | HSPA5 (0.50) | HSPA5TSHRCYP2D6HIF1ATAAR1 | |
| SCHEMBL9578479 | 0.72 | CYP1A2 (0.47) | HSPA5TSHRCYP2D6HIF1ATAAR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0958275-A4 | SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 | UNIV VANDERBILT (US) | 2004-12-01 | — | — | EP | disclosed |
| US-6284918-B1 | ENZYME INHIBITORS | VANDERBILT UNIVERSITY | 2001-09-04 | — | — | US | disclosed |
| EP-0958275-A1 | SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 | VANDERBILT UNIVERSITY (US) | 1999-11-24 | — | — | EP | disclosed |
| US-5973191-A | AN ACETOXYPHENYLALKYL SULFIDE, SALT OR HYDRATE | VANDERBILT UNIVERSITY (US) | 1999-10-26 | — | — | US | disclosed |
| WO-1998029382-A1 | SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 | VANDERBILT UNIVERSITY (US) | 1998-07-09 | — | — | WO | disclosed |