Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | AKR1C3 | P42330 | 12/20 | 0.53 |
| ▸ | AKR1C2 | P52895 | 12/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | CDC25B | P30305 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL5736385 | 0.91 | KDM4E (0.60) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1956889 | 0.91 | KDM4E (0.60) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5307872 | 0.91 | NPC1 (0.63) | KDM4ECYP1A2CYP2D6CYP2C19NPC1 | |
| SCHEMBL382822 | 0.86 | KDM4E (0.66) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL27939607 | 0.85 | CDC25B (0.66) | KDM4ECYP1A2CYP2D6CYP2C19NPC1 | |
| SCHEMBL383820 | 0.84 | ALDH1A1 (0.66) | KDM4ENPC1RAB9ASMN1; SMN2AKR1C3 | |
| SCHEMBL4841826 | 0.83 | NPC1 (0.66) | KDM4ECYP1A2CYP2C19NPC1RAB9A | |
| SCHEMBL4840255 | 0.83 | ALDH1A1 (0.69) | KDM4ECYP2C9NPC1RAB9ASMN1; SMN2 | |
| Benzene SCHEMBL29227606 | 0.82 | ALDH1A1 (0.63) | KDM4ECYP1A2CYP2D6CYP2C19NPC1 | |
| SCHEMBL4124832 | 0.81 | NPC1 (0.68) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 |
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-2008060844-A1 | POLYMERIZATION INHIBITOR COMPOSITIONS, THEIR PREPARATION, AND THEIR USE | ALBEMARLE CORPORATION (US) | 2008-05-22 | — | — | WO | disclosed |