Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.57 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 4/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | MPO | P05164 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL126999 | 0.86 | IDO1 (0.67) | IDO1HSPA5KEAP1TSHRCYP2D6 | |
| SCHEMBL29647676 | 0.78 | IDO1 (0.57) | IDO1HSPA5KEAP1TSHRCYP2D6 | |
| SCHEMBL3684989 | 0.78 | IDO1 (0.57) | IDO1HSPA5KEAP1TSHRCYP2D6 | |
| SCHEMBL1245021 | 0.78 | IDO1 (0.57) | IDO1HSPA5KEAP1TSHRCYP2D6 | |
| SCHEMBL1840532 | 0.77 | TSHR (0.62) | IDO1HSPA5KEAP1TSHRCYP2D6 | |
| SCHEMBL1840002 | 0.75 | IDO1 (0.53) | IDO1HSPA5KEAP1TSHRCYP2D6 | |
| SCHEMBL11644882 | 0.75 | IDO1 (0.53) | IDO1HSPA5KEAP1TSHRCYP2D6 | |
| SCHEMBL7101247 | 0.75 | IDO1 (0.64) | IDO1HSPA5KEAP1TSHRCYP2D6 | |
| SCHEMBL1011357 | 0.74 | IDO1 (0.57) | IDO1HSPA5KEAP1TSHRCYP2D6 | |
| SCHEMBL1660262 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0958275-A4 | SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 | UNIV VANDERBILT (US) | 2004-12-01 | — | — | EP | disclosed |
| EP-0958275-A1 | SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 | VANDERBILT UNIVERSITY (US) | 1999-11-24 | — | — | EP | disclosed |
| WO-1998029382-A1 | SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 | VANDERBILT UNIVERSITY (US) | 1998-07-09 | — | — | WO | disclosed |