Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | NOS3 | P29474 | 2/20 | 0.42 |
| ▸ | NOS1 | P29475 | 2/20 | 0.42 |
| ▸ | NOS2 | P35228 | 2/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | ABAT | P80404 | 1/20 | 0.41 |
| ▸ | TPSAB1 | Q15661 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.41 |
| ▸ | SLC7A5 | Q01650 | 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 | |
|---|---|---|---|---|
| SCHEMBL9293068 | 0.89 | ESR1 (0.48) | TAAR1SLC6A2EPHX1ESR1ESR2 | |
| SCHEMBL23643229 | 0.85 | NOS1 (0.47) | SMN1; SMN2LOXL2NOS3NOS1NOS2 | |
| SCHEMBL20041146 | 0.85 | NOS1 (0.47) | SMN1; SMN2LOXL2NOS3NOS1NOS2 | |
| SCHEMBL15134805 | 0.84 | NPC1 (0.45) | TAAR1SLC6A2EPHX1ESR1ESR2 | |
| SCHEMBL15160672 | 0.84 | NPC1 (0.45) | TAAR1SLC6A2EPHX1ESR1ESR2 | |
| SCHEMBL28052529 | 0.84 | TBXAS1 (0.51) | KDM4ESMN1; SMN2LOXL2TAAR1SLC6A2 | |
| SCHEMBL23643108 | 0.84 | EPHX1 (0.50) | KDM4ESMN1; SMN2LOXL2TAAR1SLC6A2 | |
| SCHEMBL16017643 | 0.84 | TBXAS1 (0.51) | KDM4ESMN1; SMN2LOXL2TAAR1SLC6A2 | |
| SCHEMBL12229428 | 0.82 | ESR1 (0.61) | KDM4ESMN1; SMN2TAAR1SLC6A2ESR1 | |
| SCHEMBL18698817 | 0.82 | ACACB (0.50) | ESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-100548948-C | Metal ligands and improved metal catalytic processes based thereon | MASSACHUSETTS INST TECHNOLOGY (US) | 2009-10-14 | — | — | CN | disclosed |