Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.50 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL10313031 | 0.88 | CYP2D6 (0.55) | CYP2D6CYP2C9CYP3A4CYP2C19ATM | |
| SCHEMBL4225675 | 0.87 | CYP2D6 (0.54) | CYP2D6CYP2C9CYP3A4CYP2C19ATM | |
| SCHEMBL26334231 | 0.86 | ATM (0.56) | ATMALDH1A1SCN5ASCN9ASMN1; SMN2 | |
| SCHEMBL9308762 | 0.80 | ALDH1A1 (0.53) | CYP2D6CYP2C9CYP3A4CYP2C19ATM | |
| SCHEMBL10313035 | 0.80 | NPFFR1 (0.50) | CYP2D6CYP2C9CYP3A4CYP2C19ATM | |
| SCHEMBL14245031 | 0.80 | NPFFR1 (0.50) | CYP2D6CYP2C9CYP3A4CYP2C19ATM | |
| SCHEMBL11758308 | 0.79 | SIGMAR1 (0.41) | ALDH1A1SMN1; SMN2SIGMAR1MEN1KMT2A | |
| SCHEMBL30803757 | 0.78 | SIGMAR1 (0.48) | CYP2D6CYP2C9CYP3A4CYP2C19ATM | |
| SCHEMBL9308521 | 0.78 | MEN1 (0.58) | CYP2D6CYP2C9CYP3A4CYP2C19ATM | |
| SCHEMBL3310151 | 0.78 | ATM (0.56) | CYP2D6CYP2C9CYP3A4CYP2C19ATM |
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 |
|---|---|---|---|---|---|---|---|
| EP-3924361-B1 | NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS | HETERO LABS LTD (IN) | 2023-09-06 | — | — | EP | disclosed |
| WO-2020165741-A1 | NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS | HETERO LABS LIMITED (IN) | 2020-08-20 | — | — | WO | disclosed |