Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MMP13 | P45452 | 3/20 | 0.32 |
| ▸ | MMP1 | P03956 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | EGFR | P00533 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19696481 | 0.84 | MMP13 (0.30) | MMP13MMP1 | |
| SCHEMBL143705 | 0.81 | GAA (0.50) | ALDH1A1MMP13MMP1PKMCA1 | |
| SCHEMBL27500692 | 0.79 | ALDH1A1 (0.46) | ALDH1A1MMP13PKMCA1CA2 | |
| Ammonia Solution, Strong SCHEMBL5917791 | 0.79 | GAA (0.48) | ALDH1A1MMP13MMP1PKMCA1 | |
| SCHEMBL10823195 | 0.79 | TSHR (0.48) | ALDH1A1MMP13MMP1PKMCA1 | |
| SCHEMBL19949926 | 0.79 | GAA (0.48) | ALDH1A1MMP13MMP1PKMCA1 | |
| SCHEMBL18853809 | 0.79 | CA2 (0.45) | ALDH1A1MMP13MMP1CA1CA2 | |
| SCHEMBL19809892 | 0.79 | CA1 (0.44) | ALDH1A1MMP13MMP1CA1CA2 | |
| SCHEMBL780154 | 0.78 | HTR6 (0.44) | ALDH1A1CA1CA2CA9 | |
| SCHEMBL14114776 | 0.78 | PKM (0.57) | ALDH1A1MMP13MMP1PKMCA1 |
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-9873707-B2 | Methods and intermediates for preparing macrolactams | MERCK SHARP & DOHME CORP. (US) | 2018-01-23 | — | — | US | disclosed |