Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 2/20 | 0.66 |
| ▸ | LTA4H | P09960 | 2/20 | 0.51 |
| ▸ | DRD2 | P14416 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.48 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.47 |
| ▸ | DRD3 | P35462 | 2/20 | 0.47 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL14660352 | 0.94 | ALOX5 (0.60) | ALOX5LTA4HDRD2L3MBTL1SMN1; SMN2 | |
| SCHEMBL8633942 | 0.93 | ALOX5 (0.58) | ALOX5LTA4HDRD2TDP1CA12 | |
| SCHEMBL550428 | 0.87 | ALOX5 (0.60) | ALOX5LTA4HL3MBTL1SMN1; SMN2HDAC1 | |
| SCHEMBL6839565 | 0.86 | KCNH2 (0.64) | ALOX5LTA4HL3MBTL1SMN1; SMN2TDP1 | |
| SCHEMBL8632919 | 0.86 | HDAC1 (0.53) | ALOX5LTA4HDRD2L3MBTL1HDAC1 | |
| SCHEMBL9554296 | 0.86 | ALOX5 (0.69) | ALOX5LTA4HSMN1; SMN2CYP4F2CYP4A11 | |
| SCHEMBL1713228 | 0.84 | ALOX5 (0.63) | ALOX5LTA4HL3MBTL1SMN1; SMN2HDAC1 | |
| SCHEMBL1836157 | 0.84 | ALOX5 (0.63) | ALOX5LTA4HL3MBTL1SMN1; SMN2HDAC1 | |
| SCHEMBL9730917 | 0.84 | ALOX5 (0.60) | ALOX5LTA4HSMN1; SMN2HDAC1TDP1 | |
| SCHEMBL2479772 | 0.83 | ALOX5 (0.55) | ALOX5LTA4HSMN1; SMN2HDAC1TDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5760221-A | Method for the preparation of hexahydroazepinones and hexahydroazepinoles | ASTA MEDICA AKTIENGESELLSCHAFT (DE) | 1998-06-02 | — | — | US | disclosed |