Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 6/20 | 0.35 |
| ▸ | CES2 | O00748 | 3/20 | 0.35 |
| ▸ | FAAH | O00519 | 8/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL13856091 | 0.88 | ALDH1A1 (0.43) | ALDH1A1CES1CES2FAAHHDAC3 | |
| SCHEMBL14204597 | 0.86 | ALDH1A1 (0.41) | ALDH1A1CES1CES2FAAHHDAC3 | |
| SCHEMBL27581259 | 0.80 | ALDH1A1 (0.48) | ALDH1A1CES1CES2FAAHHDAC3 | |
| SCHEMBL9637794 | 0.79 | GAA (0.35) | TSHR | |
| SCHEMBL17425328 | 0.79 | ALDH1A1 (0.52) | ALDH1A1CES1CES2FAAHHDAC3 | |
| SCHEMBL8816566 | 0.78 | ALDH1A1 (0.46) | ALDH1A1CES1CES2HDAC3HDAC1 | |
| SCHEMBL19762887 | 0.77 | ALDH1A1 (0.44) | ALDH1A1CES1CES2FAAHHDAC3 | |
| SCHEMBL10446 | 0.77 | ALDH1A1 (0.55) | ALDH1A1CES1CES2HDAC3HDAC1 | |
| SCHEMBL5748551 | 0.76 | ALDH1A1 (0.48) | ALDH1A1CES1CES2FAAHHDAC3 | |
| SCHEMBL18776197 | 0.75 | ALDH1A1 (0.43) | ALDH1A1CES1CES2HDAC3HDAC1 |
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-2015095792-A1 | CARBAMATE BENZOXAXINE PROPIONIC ACIDS AND ACID DERIVATIVES FOR MODULATION OF RORGAMMA ACTIVITY AND THE TREATMENT OF DISEASE | MERCK SHARP & DOHME CORP. (US) | 2015-06-25 | — | — | WO | disclosed |