Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | LNPEP | Q9UIQ6 | 5/20 | 0.40 |
| ▸ | NOS2 | P35228 | 2/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | SREBF2 | Q12772 | 5/20 | 0.35 |
| ▸ | LOX | P28300 | 1/20 | 0.33 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10223946 | 0.88 | ESR1 (0.40) | KDM4ELMNACYP3A4TSHRLNPEP | |
| SCHEMBL18924478 | 0.87 | KDM4E (0.50) | KDM4ELMNACYP3A4TSHRNOS2 | |
| SCHEMBL11926806 | 0.85 | NOS3 (0.52) | KDM4ELMNACYP3A4TSHRLNPEP | |
| SCHEMBL487201 | 0.82 | KDM4E (0.56) | KDM4ELMNACYP3A4TSHRNOS2 | |
| SCHEMBL2619306 | 0.80 | CYP1A2 (0.47) | KDM4ELMNACYP3A4TSHRLNPEP | |
| SCHEMBL21533986 | 0.80 | NOS3 (0.35) | KDM4ELMNACYP3A4TSHRLNPEP | |
| SCHEMBL12561686 | 0.79 | RECQL (0.50) | KDM4ELMNACYP3A4TSHRLNPEP | |
| SCHEMBL21157383 | 0.79 | FDPS (0.35) | CYP3A4LNPEPNOS2NOS3NOS1 | |
| SCHEMBL18924506 | 0.79 | LNPEP (0.44) | KDM4ELMNACYP3A4TSHRLNPEP | |
| SCHEMBL26433336 | 0.77 | GRN (0.41) | LMNALNPEPNOS2 |
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-9670172-B2 | Heterocyclic compounds and methods of use | MEDIVATION TECHNOLOGIES, INC. (US) | 2017-06-06 | — | — | US | disclosed |