Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 5/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | PRCP | P42785 | 1/20 | 0.32 |
| ▸ | TMEM97 | Q5BJF2 | 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 | |
|---|---|---|---|---|
| SCHEMBL21158554 | 0.80 | SMN1; SMN2 (0.40) | HRH3ALDH1A1MEN1KMT2ACYP2D6 | |
| SCHEMBL12994219 | 0.76 | ALDH1A1 (0.56) | ALDH1A1MEN1KMT2ASIGMAR1CYP1A2 | |
| SCHEMBL8693568 | 0.76 | MEN1 (0.42) | ALDH1A1MEN1KMT2ASIGMAR1KDM4E | |
| SCHEMBL13520211 | 0.76 | HRH2 (0.40) | ALDH1A1MEN1KMT2ASIGMAR1CYP1A2 | |
| SCHEMBL13519656 | 0.75 | KMT2A (0.36) | HRH3ALDH1A1KMT2ASIGMAR1CYP1A2 | |
| SCHEMBL28422668 | 0.73 | HRH3 (0.44) | HRH3SIGMAR1CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL10689583 | 0.73 | KMT2A (0.41) | ALDH1A1MEN1KMT2ASIGMAR1CYP1A2 | |
| SCHEMBL15512770 | 0.72 | KDM4E (0.39) | HRH3ALDH1A1MEN1KMT2ACYP2D6 | |
| SCHEMBL15499958 | 0.72 | KDM4E (0.39) | HRH3ALDH1A1MEN1KMT2ACYP2D6 | |
| SCHEMBL16435307 | 0.72 | ALDH1A1 (0.36) | HRH3ALDH1A1MEN1KMT2ASIGMAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118256591-A | Cyclic peptide compound having high membrane permeability and library comprising same | 中外制药株式会社 | 2024-06-28 | — | — | CN | disclosed |
| CN-110869544-B | Cyclic peptide compound having high membrane permeability and library comprising same | 中外制药株式会社 | 2024-03-08 | — | — | CN | disclosed |
| CN-110869544-A | Cyclic peptide compound having high membrane permeability and library containing same | 中外制药株式会社 | 2020-03-06 | — | — | CN | disclosed |