Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | PTGES2 | Q9H7Z7 | 2/20 | 0.32 |
| ▸ | PTGES | O14684 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 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 | |
|---|---|---|---|---|
| SCHEMBL3312482 | 0.92 | PTGDR2 (0.40) | KDM4EPTGDR2MDM2MEN1KMT2A | |
| SCHEMBL15186207 | 0.87 | CYP3A4 (0.42) | KDM4EPDE5AKCNH2SLC16A3ALOX5 | |
| SCHEMBL3312494 | 0.86 | CYP3A4 (0.32) | KDM4EPTGDR2NPC1LMNACYP3A4 | |
| SCHEMBL15182600 | 0.84 | KDM4E (0.37) | KDM4EPDE5AKCNH2SLC16A3PTGDR2 | |
| SCHEMBL3297264 | 0.79 | CYP3A4 (0.42) | KCNH2PTGDR2ALOX5MDM2MEN1 | |
| SCHEMBL15182599 | 0.77 | PTGES2 (0.41) | KDM4EPTGDR2MDM2MEN1KMT2A | |
| SCHEMBL3301651 | 0.76 | CYP3A4 (0.36) | KDM4EKMT2ACYP3A4 | |
| SCHEMBL15182601 | 0.74 | CYP3A4 (0.41) | KDM4EKCNH2SLC16A3PTGDR2NPC1 | |
| SCHEMBL10284000 | 0.74 | KMT2A (0.35) | KDM4ENPC1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL15102812 | 0.74 | PPARG (0.43) | KCNH2ALOX5CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012003498-A1 | 2 -QUINOLINYL- ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2012-01-05 | — | — | WO | disclosed |