Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRHBP | P24387 | 2/20 | 0.47 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.47 |
| ▸ | APAF1 | O14727 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP14 | P50281 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL23320094 | 0.81 | ALDH1A1 (0.49) | CRHBPCRHR2LMNAALDH1A1HTT | |
| SCHEMBL13012350 | 0.81 | EPHX1 (0.54) | CRHBPCRHR2APAF1LMNAADRB2 | |
| SCHEMBL2721958 | 0.79 | LMNA (0.50) | CRHBPCRHR2LMNAALDH1A1HTT | |
| SCHEMBL2049579 | 0.79 | ALDH1A1 (0.66) | CRHBPCRHR2LMNAALDH1A1HTT | |
| SCHEMBL27418259 | 0.79 | LMNA (0.44) | CRHBPCRHR2LMNAALDH1A1HTT | |
| Ethane SCHEMBL27961526 | 0.78 | CTSK (0.55) | CRHBPCRHR2LMNAALDH1A1HTT | |
| SCHEMBL7504901 | 0.77 | LMNA (0.49) | CRHBPCRHR2LMNAALDH1A1HTT | |
| SCHEMBL9055208 | 0.77 | ROCK2 (0.50) | CRHBPCRHR2LMNAALDH1A1HTT | |
| SCHEMBL19256857 | 0.77 | ROCK2 (0.50) | CRHBPCRHR2LMNAALDH1A1HTT | |
| SCHEMBL528413 | 0.76 | CYP1A2 (0.56) | CRHBPCRHR2LMNAALDH1A1HTT |
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 |