Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
| ▸ | THPO | P40225 | 1/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | GMNN | O75496 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.52 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.52 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.40 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14586770 | 0.82 | ALDH1A1 (0.42) | CYP2D6TP53CYP1A2CYP3A4PKM | |
| SCHEMBL13866347 | 0.82 | CHRM3 (0.47) | CYP2D6CARM1PRMT6CYP2C19CHRM3 | |
| SCHEMBL28660967 | 0.82 | TP53 (0.54) | CYP2D6TP53CYP1A2CYP3A4PKM | |
| SCHEMBL14586767 | 0.78 | CARM1 (0.47) | CYP2D6MEN1KMT2ACARM1PRMT6 | |
| Hydrochloric Acid SCHEMBL2945460 | 0.78 | SMN1; SMN2 (0.48) | CYP2D6CYP3A4MEN1KMT2AMAPT | |
| SCHEMBL6954112 | 0.77 | SCN1A (0.51) | MEN1KMT2AALDH1A1MAPTCHRM2 | |
| SCHEMBL1331414 | 0.77 | SCN1A (0.51) | MEN1KMT2AALDH1A1MAPTCHRM2 | |
| SCHEMBL19903722 | 0.73 | CYP2D6 (0.46) | CYP2D6CYP1A2CYP3A4MEN1KMT2A | |
| SCHEMBL29090727 | 0.72 | CHRM2 (0.42) | CYP2D6MEN1KMT2AALDH1A1CHRM2 | |
| SCHEMBL2895068 | 0.72 | CYP2D6 (0.43) | CYP2D6MEN1KMT2ACYP2C19CHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103429607-B | There is the triterpenoid that C-17 and C-3 of HIV maturation inhibit activities is modified | BRISTOL-MYERS SQUIBB CO. (US) | 2016-02-17 | — | — | CN | disclosed |
| CN-103429607-A | C-17 and C-3 modified triterpenoids with HIV maturation inhibitory activity | BRISTOL MYERS SQUIBB CO | 2013-12-04 | — | — | CN | disclosed |