Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | NOS3 | P29474 | 2/20 | 0.41 |
| ▸ | NOS1 | P29475 | 2/20 | 0.41 |
| ▸ | NOS2 | P35228 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL317927 | 0.98 | KDM4E (0.48) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10109356 | 0.98 | KDM4E (0.48) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL318161 | 0.77 | NOS3 (0.43) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10109414 | 0.77 | NOS3 (0.43) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL317988 | 0.70 | CYP24A1 (0.35) | NOS3NOS1NOS2SMN1; SMN2MTNR1A | |
| SCHEMBL10109349 | 0.70 | CYP24A1 (0.35) | NOS3NOS1NOS2SMN1; SMN2MTNR1A | |
| SCHEMBL11904711 | 0.69 | NPC1 (0.44) | CYP1A2CYP2C9CYP2C19SLC6A3SMN1; SMN2 | |
| SCHEMBL13229416 | 0.66 | BACE1 (0.42) | KDM4ESMN1; SMN2RAB9ANPC1TDP1 | |
| SCHEMBL3692359 | 0.66 | BACE1 (0.42) | KDM4ESMN1; SMN2RAB9ANPC1TDP1 | |
| SCHEMBL10108843 | 0.65 | LMNA (0.47) | KDM4ENOS3NOS1NOS2LMNA |
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-8093302-B2 | Substituted tetralins as selective estrogen receptor-β agonists | ELI LILLY AND COMPANY (US) | 2012-01-10 | — | — | US | disclosed |
| US-8093302-B2 | Substituted tetralins as selective estrogen receptor-β agonists | ELI LILLY AND COMPANY (US) | 2012-01-10 | — | — | US | disclosed |