Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | CYSLTR2 | Q9NS75 | 2/20 | 0.38 |
| ▸ | CYSLTR1 | Q9Y271 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.33 |
| ▸ | PPARG | P37231 | 2/20 | 0.33 |
| ▸ | PPARA | Q07869 | 2/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | PTGES | O14684 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6534841 | 0.95 | TSHR (0.44) | TSHRGABRA1GABRB2CYSLTR2CYSLTR1 | |
| SCHEMBL6535285 | 0.94 | TSHR (0.43) | TSHRGABRA1GABRB2CYSLTR2CYSLTR1 | |
| SCHEMBL6535240 | 0.94 | TSHR (0.43) | TSHRGABRA1GABRB2CYSLTR2CYSLTR1 | |
| SCHEMBL6534959 | 0.90 | TSHR (0.48) | TSHRGABRA1GABRB2CYSLTR2CYSLTR1 | |
| SCHEMBL887607 | 0.88 | TSHR (0.53) | TSHRGABRA1GABRB2CYSLTR2CYSLTR1 | |
| SCHEMBL9507974 | 0.86 | TSHR (0.40) | TSHRGABRA1GABRB2CYSLTR2CYSLTR1 | |
| SCHEMBL177521 | 0.84 | TSHR (0.50) | TSHRGABRA1GABRB2CYSLTR2CYSLTR1 | |
| SCHEMBL980886 | 0.84 | TSHR (0.55) | TSHRGABRA1GABRB2CYSLTR2CYSLTR1 | |
| SCHEMBL30628000 | 0.84 | TSHR (0.50) | TSHRGABRA1GABRB2CYSLTR2CYSLTR1 | |
| SCHEMBL984148 | 0.84 | TSHR (0.50) | TSHRGABRA1GABRB2CYSLTR2CYSLTR1 |
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 |