Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.81 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | F2 | P00734 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL17459902 | 0.94 | TDP1 (0.78) | TDP1LMNAMAPK1HIF1ASLC6A2 | |
| SCHEMBL223441 | 0.90 | TDP1 (1.00) | TDP1LMNAMAPK1HIF1ASLC6A2 | |
| SCHEMBL225815 | 0.88 | TDP1 (0.96) | TDP1LMNAMAPK1HIF1ASLC6A2 | |
| SCHEMBL17466182 | 0.88 | TDP1 (0.96) | TDP1LMNAMAPK1HIF1ASLC6A2 | |
| SCHEMBL11896606 | 0.88 | TDP1 (0.96) | TDP1LMNAMAPK1HIF1ASLC6A2 | |
| SCHEMBL2069111 | 0.88 | TDP1 (0.96) | TDP1LMNAMAPK1HIF1ASLC6A2 | |
| SCHEMBL223238 | 0.88 | TDP1 (0.96) | TDP1LMNAMAPK1HIF1ASLC6A2 | |
| SCHEMBL11896235 | 0.88 | TDP1 (0.96) | TDP1LMNAMAPK1HIF1ASLC6A2 | |
| Ammonia Solution, Strong SCHEMBL2530225 | 0.86 | TDP1 (0.92) | TDP1LMNAMAPK1HIF1ASLC6A2 | |
| SCHEMBL10458171 | 0.86 | TDP1 (0.70) | TDP1LMNAMAPK1HIF1ASLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021222353-A1 | MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2021-11-04 | — | — | WO | disclosed |
| CN-104114537-A | Substituted benzylamine compounds, their use in medicine, and in particular the treatment of hepatitis c virus (hcv) infection | ASTEX THERAPEUTICS LTD | 2014-10-22 | — | — | CN | disclosed |