Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.35 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.33 |
| ▸ | BCL2 | P10415 | 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 | |
|---|---|---|---|---|
| SCHEMBL14201503 | 0.92 | MAPK1 (0.35) | EPHX1PTGS2ALDH1A1SMN1; SMN2SIGMAR1 | |
| SCHEMBL14201165 | 0.90 | ALDH1A1 (0.36) | EPHX1PTGS2ALDH1A1SMN1; SMN2SIGMAR1 | |
| SCHEMBL14230178 | 0.88 | RIPK1 (0.41) | EPHX1PTGS2ALDH1A1SMN1; SMN2SIGMAR1 | |
| SCHEMBL14201173 | 0.86 | TAS1R3 (0.42) | ALDH1A1SMN1; SMN2TAS1R3TAS1R1TDP1 | |
| SCHEMBL14201144 | 0.85 | ALDH1A1 (0.39) | ALDH1A1SMN1; SMN2TAS1R3TAS1R1 | |
| SCHEMBL14201150 | 0.82 | PTGS2 (0.35) | EPHX1PTGS2ALDH1A1SMN1; SMN2SIGMAR1 | |
| SCHEMBL14200447 | 0.82 | MAPK1 (0.36) | EPHX1PTGS2ALDH1A1SMN1; SMN2SIGMAR1 | |
| SCHEMBL14229349 | 0.81 | TP53 (0.40) | PTGS2SIGMAR1MAPK1L3MBTL1TSHR | |
| SCHEMBL14229321 | 0.80 | ALDH1A1 (0.37) | EPHX1PTGS2ALDH1A1SMN1; SMN2SIGMAR1 | |
| SCHEMBL14229593 | 0.80 | RIPK1 (0.39) | EPHX1PTGS2ALDH1A1SMN1; SMN2SIGMAR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7365093-B2 | Endothelin antagonists | ABBOTT LABORATORIES (US) | 2008-04-29 | — | — | US | disclosed |
| US-7208517-B1 | Endothelin antagonists | ABBOTT LABORTORIES (US) | 2007-04-24 | — | — | US | disclosed |