Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.63 |
| ▸ | MEN1 | O00255 | 1/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | LTA4H | P09960 | 2/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL19859001 | 0.99 | GAA (0.65) | GAAMEN1KMT2AKDM4EHRH3 | |
| SCHEMBL19859010 | 0.89 | TSHR (0.64) | GAAMEN1KMT2AKDM4ENPC1 | |
| SCHEMBL19859086 | 0.88 | MEN1 (0.50) | GAAMEN1KMT2AKDM4EHRH3 | |
| SCHEMBL19870511 | 0.87 | MEN1 (0.49) | GAAMEN1KMT2AKDM4EHRH3 | |
| SCHEMBL19869220 | 0.86 | KDM4E (0.56) | MEN1KMT2AKDM4EHRH3NPC1 | |
| SCHEMBL19859017 | 0.85 | KDM4E (0.58) | MEN1KMT2AKDM4EHRH3NPC1 | |
| SCHEMBL954407 | 0.82 | MEN1 (0.90) | GAAMEN1KMT2AKDM4ESMN1; SMN2 | |
| SCHEMBL6042774 | 0.81 | MEN1 (0.61) | GAAMEN1KMT2AKDM4EPOLB | |
| SCHEMBL21750480 | 0.81 | MEN1 (0.93) | GAAMEN1KMT2AKDM4ESMN1; SMN2 | |
| SCHEMBL19859009 | 0.80 | ABL1 (0.54) | KDM4ENPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018029604-A1 | C-3 NOVEL TRITERPENONE WITH C-17 REVERSE AMIDE DERIVATIVES AS HIV INHIBITORS | HETERO LABS LIMITED (IN) | 2018-02-15 | — | — | WO | disclosed |
| WO-2018029604-A1 | C-3 NOVEL TRITERPENONE WITH C-17 REVERSE AMIDE DERIVATIVES AS HIV INHIBITORS | HETERO LABS LIMITED (IN) | 2018-02-15 | — | — | WO | disclosed |