Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | SLC15A1 | P46059 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | SLC1A3 | P43003 | 3/20 | 0.40 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.40 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16301415 | 0.86 | CA1 (0.49) | CA1CA2SLC15A1ALDH1A1CTSK | |
| SCHEMBL11636918 | 0.83 | CA1 (0.63) | CA1CA2ALDH1A1CTSKKMT2A | |
| SCHEMBL13820299 | 0.82 | CA1 (0.45) | CA1CA2ALDH1A1CTSKCYP2D6 | |
| SCHEMBL10241666 | 0.82 | CA1 (0.45) | CA1CA2ALDH1A1CTSKCYP2D6 | |
| SCHEMBL14682359 | 0.82 | ALDH1A1 (0.57) | SLC15A1ALDH1A1SLC1A3SLC1A1SLC1A2 | |
| SCHEMBL14908324 | 0.82 | ALDH1A1 (0.57) | SLC15A1ALDH1A1SLC1A3SLC1A1SLC1A2 | |
| SCHEMBL14328294 | 0.80 | ALDH1A1 (0.50) | CA1CA2SLC15A1ALDH1A1CTSK | |
| SCHEMBL16333600 | 0.80 | CTSK (0.51) | CTSKKMT2AMEN1CYP2D6CYP2C9 | |
| SCHEMBL10241677 | 0.80 | CTSK (0.51) | CTSKKMT2AMEN1CYP2D6CYP2C9 | |
| SCHEMBL5196444 | 0.79 | SLC1A3 (0.55) | SLC15A1ALDH1A1SLC1A3SLC1A1SLC1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8173840-B2 | Compounds with high therapeutic index | SIGNATURE R&D HOLDINGS, LLC (US) | 2012-05-08 | — | — | US | disclosed |