Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ERN1 | O75460 | 4/20 | 0.36 |
| ▸ | TLR2 | O60603 | 1/20 | 0.36 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.36 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.35 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL25897354 | 0.82 | CA1 (0.38) | CA1CA2CYP2A6SRCLMNA | |
| SCHEMBL2557622 | 0.82 | CA1 (0.41) | CA1CA2CYP2A6SRCKMT2A | |
| SCHEMBL29766670 | 0.82 | CA1 (0.38) | CA1CA2CYP2A6SRCLMNA | |
| SCHEMBL15331103 | 0.81 | CA1 (0.41) | CA1CA2CYP2A6SRCLMNA | |
| SCHEMBL1748658 | 0.80 | SRC (0.45) | CA1CA2ALDH1A3SRCLMNA | |
| SCHEMBL1598490 | 0.80 | TSHR (0.50) | CA1CA2ALDH1A3SRCLMNA | |
| SCHEMBL25706407 | 0.80 | CA1 (0.43) | CA1CA2SRCMEN1KMT2A | |
| SCHEMBL1293351 | 0.79 | CA1 (0.61) | CA1CA2CYP2A6SRCLMNA | |
| SCHEMBL2555877 | 0.79 | CA1 (0.39) | CA1CA2SRCLMNAMEN1 | |
| SCHEMBL13332341 | 0.79 | ERN1 (0.47) | CA1CA2ALDH1A3SRCLMNA |
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-2020099341-A1 | ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF | DEBIOPHARM INTERNATIONAL S.A. (CH) | 2020-05-22 | — | — | WO | disclosed |