Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.38 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.33 |
| ▸ | KDM4A | O75164 | 6/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 6/20 | 0.32 |
| ▸ | KDM5A | P29375 | 1/20 | 0.32 |
| ▸ | KDM7A | Q6ZMT4 | 1/20 | 0.32 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.32 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL28685039 | 0.79 | ALDH1A1 (0.45) | ALDH1A1TSHRDNM1PAOXMAPT | |
| SCHEMBL23451704 | 0.77 | ALDH1A1 (0.50) | ALDH1A1TSHRDNM1PAOXMAPT | |
| SCHEMBL16816753 | 0.77 | — | — | |
| SCHEMBL23451837 | 0.73 | ALDH1A1 (0.53) | ALDH1A1TSHRDNM1PAOXMAPT | |
| SCHEMBL805274 | 0.72 | — | — | |
| SCHEMBL21698631 | 0.72 | — | — | |
| SCHEMBL2631875 | 0.72 | — | — | |
| SCHEMBL23451761 | 0.71 | ALDH1A1 (0.50) | ALDH1A1TSHRDNM1PAOXMAPT | |
| SCHEMBL28286726 | 0.70 | ALDH1A1 (0.43) | ALDH1A1TSHRDNM1PAOXMAPT | |
| SCHEMBL23451971 | 0.69 | ALDH1A1 (0.47) | ALDH1A1TSHRDNM1PAOXMAPT |
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-2017117393-A1 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2017-07-06 | — | — | WO | disclosed |