Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 5/20 | 0.47 |
| ▸ | CTSL | P07711 | 4/20 | 0.47 |
| ▸ | CTSB | P07858 | 3/20 | 0.47 |
| ▸ | CTSK | P43235 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL2707085 | 0.84 | CTSS (0.45) | CTSSCTSLCTSBCTSKALDH1A1 | |
| SCHEMBL8234255 | 0.82 | CTSS (0.53) | CTSSCTSLCTSBCTSKALDH1A1 | |
| SCHEMBL2704426 | 0.82 | CTSS (0.52) | CTSSCTSLCTSBCTSKALDH1A1 | |
| SCHEMBL16312555 | 0.81 | CTSS (0.48) | CTSSCTSLCTSBCTSKALDH1A1 | |
| SCHEMBL17754372 | 0.81 | CTSS (0.52) | CTSSCTSLCTSBCTSKALDH1A1 | |
| SCHEMBL24736349 | 0.78 | CTSS (0.57) | CTSSCTSLCTSBCTSKMEN1 | |
| SCHEMBL20179421 | 0.77 | CTSS (0.50) | CTSSCTSLCTSBCTSKALDH1A1 | |
| SCHEMBL1189554 | 0.77 | CTSS (0.57) | CTSSCTSLCTSBCTSKALDH1A1 | |
| Hydrochloric Acid SCHEMBL29158039 | 0.76 | CTSS (0.56) | CTSSCTSLCTSBCTSKALDH1A1 | |
| SCHEMBL10581164 | 0.75 | CTSS (0.51) | CTSSCTSLCTSBCTSKALDH1A1 |
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-2012025701-A1 | ALPHA, ALPHA - DI SUBSTITUTED GLYCINE ESTER DERIVATIVES AND THEIR USE AS HDAC INHIBITORS | CHROMA THERAPEUTICS LTD. (GB) | 2012-03-01 | — | — | WO | disclosed |