Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14125308 | 0.80 | KMT2A (0.48) | KMT2AMEN1MAPTCYP3A4TDP1 | |
| SCHEMBL14137283 | 0.79 | KMT2A (0.43) | KMT2AMEN1MAPTCYP3A4TDP1 | |
| SCHEMBL19932319 | 0.78 | LMNA (0.47) | MAPTCYP3A4ALDH1A1 | |
| SCHEMBL20429162 | 0.78 | TAAR1 (0.49) | KMT2AMEN1MAPTTAAR1TDP1 | |
| Hydrochloric Acid SCHEMBL11287462 | 0.77 | KMT2A (0.45) | KMT2AMEN1MAPTTAAR1TDP1 | |
| SCHEMBL21387331 | 0.77 | MAPT (0.41) | KMT2AMEN1MAPTCYP3A4TDP1 | |
| SCHEMBL14040042 | 0.77 | CYP1A2 (0.41) | KMT2AMEN1MAPTCYP3A4TDP1 | |
| SCHEMBL2691568 | 0.76 | MAPT (0.51) | KMT2AMEN1MAPTCYP3A4TDP1 | |
| SCHEMBL9421256 | 0.75 | KMT2A (0.52) | KMT2AMEN1MAPTL3MBTL1SMN1; SMN2 | |
| SCHEMBL13683062 | 0.75 | HDAC4 (0.44) | KMT2AMEN1MAPTCYP3A4TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3354643-B1 | DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE | AERIE PHARMACEUTICALS INC (US) | 2020-10-28 | — | — | EP | disclosed |
| EP-3354643-A1 | DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE | Aerie Pharmaceuticals, Inc. (US) | 2018-08-01 | — | — | EP | disclosed |