Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | IAPP | P10997 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.40 |
| ▸ | BID | P55957 | 3/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.40 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.40 |
| ▸ | BAK1 | Q16611 | 2/20 | 0.40 |
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.40 |
| ▸ | PPARA | Q07869 | 2/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | EP300 | Q09472 | 1/20 | 0.40 |
| ▸ | KAT2A | Q92830 | 1/20 | 0.40 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.40 |
| ▸ | KAT5 | Q92993 | 1/20 | 0.40 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5598806 | 0.78 | ALOX5 (0.44) | ALOX5PTGS2IAPPBIDMCL1 | |
| SCHEMBL5599060 | 0.77 | ALOX5 (0.43) | ALOX5PTGS2IAPPBIDMCL1 | |
| SCHEMBL5599031 | 0.77 | ALOX5 (0.43) | ALOX5PTGS2IAPPGABRA1GABRB2 | |
| SCHEMBL201764 | 0.76 | ALOX5 (0.61) | ALOX5PTGS2IAPPGABRA1GABRB2 | |
| SCHEMBL23207368 | 0.76 | CYP1A2 (0.50) | CYP1A2CYP2C9HIF1ACYP4F2CYP4A11 | |
| SCHEMBL28915742 | 0.76 | CYP1A2 (0.50) | CYP1A2CYP2C9HIF1ACYP4F2CYP4A11 | |
| SCHEMBL1023094 | 0.75 | GABRA1 (0.71) | ALOX5PTGS2IAPPGABRA1GABRB2 | |
| SCHEMBL1006616 | 0.75 | IAPP (0.51) | ALOX5PTGS2IAPPGABRA1GABRB2 | |
| Hydrogen Sulfide SCHEMBL28293295 | 0.75 | ALOX5 (0.59) | ALOX5PTGS2IAPPCYP2C9GABRA1 | |
| Acetone SCHEMBL27863904 | 0.74 | IAPP (0.50) | ALOX5PTGS2IAPPGABRA1GABRB2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1430017-A2 | SUBSTITUTED PHENOL COMPOUNDS USEFUL FOR ANESTHESIA AND SEDATION | Theravance, Inc. (US) | 2004-06-23 | — | — | EP | disclosed |
| WO-2003026632-A2 | SUBSTITUTED PHENOL COMPOUNDS USEFUL FOR ANESTHESIA AND SEDATION | THERAVANCE, INC. (US) | 2003-04-03 | — | — | WO | disclosed |