Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | MITF | O75030 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | GFER | P55789 | 1/20 | 0.49 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL26698235 | 0.85 | GAA (0.64) | GAACHRM1ALDH1A1MITFSMN1; SMN2 | |
| SCHEMBL14126889 | 0.84 | GAA (0.59) | GAACHRM1ALDH1A1KDM4ECYP1A2 | |
| Hydrochloric Acid SCHEMBL14126546 | 0.84 | GAA (0.62) | GAACHRM1ALDH1A1MITFSMN1; SMN2 | |
| SCHEMBL26698264 | 0.82 | GAA (0.60) | GAACHRM1ALDH1A1MITFSMN1; SMN2 | |
| SCHEMBL30771327 | 0.80 | GAA (0.57) | GAACHRM1ALDH1A1KDM4EMITF | |
| SCHEMBL8442534 | 0.79 | HTR1A (0.80) | ALDH1A1KDM4ECYP1A2CYP3A4HTR1A | |
| SCHEMBL8781872 | 0.78 | HTR1A (0.49) | ALDH1A1KDM4ECYP1A2CYP3A4HTR1A | |
| SCHEMBL113715 | 0.76 | ROCK2 (0.66) | — | |
| SCHEMBL12489950 | 0.75 | ABCB1 (0.58) | CHRM1ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL13504056 | 0.74 | GAA (0.71) | GAACHRM1ALDH1A1KDM4ECYP2D6 |
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 3 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 |
| EP-3053913-B1 | DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE | AERIE PHARMACEUTICALS INC (US) | 2018-03-07 | — | — | EP | disclosed |