Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10072546 | 0.76 | CYP2C19 (0.38) | — | |
| SCHEMBL971209 | 0.73 | CYP3A4 (0.41) | ALDH1A1LMNANPSR1 | |
| Hydrochloric Acid SCHEMBL1818830 | 0.71 | CYP2C19 (0.41) | ALDH1A1TSHRLMNANPSR1 | |
| SCHEMBL1808291 | 0.70 | CYP3A4 (0.38) | ALDH1A1NPSR1 | |
| Hydrochloric Acid SCHEMBL1808290 | 0.69 | CYP3A4 (0.37) | ALDH1A1NPSR1 | |
| SCHEMBL23785933 | 0.69 | EPHX1 (0.43) | CYP19A1ALDH1A1TSHRMAPK1HTT | |
| SCHEMBL19571007 | 0.69 | EPHX1 (0.43) | CYP19A1ALDH1A1TSHRMAPK1HTT | |
| SCHEMBL19570983 | 0.69 | EPHX1 (0.43) | CYP19A1ALDH1A1TSHRMAPK1HTT | |
| SCHEMBL10082464 | 0.69 | EPHX1 (0.43) | CYP19A1ALDH1A1TSHRMAPK1HTT | |
| SCHEMBL19570986 | 0.69 | EPHX1 (0.43) | CYP19A1ALDH1A1TSHRMAPK1HTT |
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 2 patents. 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 |
| 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 |