Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24142565 | 0.83 | CYP3A4 (0.40) | CYP3A4TSHRNPSR1ALDH1A1MBOAT4 | |
| SCHEMBL8340318 | 0.79 | KDM4E (0.42) | CYP3A4TSHRNPSR1ALDH1A1MBOAT4 | |
| SCHEMBL31338416 | 0.77 | KCNH3 (0.44) | CYP3A4NPSR1IDO1MAPTCXCR4 | |
| SCHEMBL31190859 | 0.76 | — | — | |
| SCHEMBL904618 | 0.76 | — | — | |
| SCHEMBL21082496 | 0.75 | SMN1; SMN2 (0.51) | NPSR1MBOAT4CXCR4KMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL31338408 | 0.75 | KCNH3 (0.47) | CYP3A4NPSR1MAPTCXCR4KMT2A | |
| Hydrochloric Acid SCHEMBL30141365 | 0.74 | TSHR (0.40) | CYP3A4TSHRALDH1A1MBOAT4MAPT | |
| Hydrochloric Acid SCHEMBL18185655 | 0.74 | TSHR (0.40) | CYP3A4TSHRALDH1A1MBOAT4MAPT | |
| SCHEMBL15578010 | 0.73 | NPSR1 (0.53) | TSHRNPSR1ALDH1A1MAPTGAA |
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-2022035763-A1 | BORON CONTAINING COMPOUNDS AND THEIR USES | 5METIS, INC. (US) | 2022-02-17 | — | — | WO | disclosed |