Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCOLN2 | Q8IZK6 | 7/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 5/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25008004 | 0.77 | MCOLN2 (0.40) | MCOLN2CYP2C19CYP1A2POLBTSHR | |
| SCHEMBL23742647 | 0.74 | — | — | |
| SCHEMBL11768987 | 0.67 | — | — | |
| SCHEMBL3264142 | 0.67 | — | — | |
| SCHEMBL4407825 | 0.67 | — | — | |
| SCHEMBL4843728 | 0.64 | TSHR (0.32) | MCOLN2CYP2C19CYP1A2POLBTSHR | |
| SCHEMBL4413524 | 0.62 | ALDH1A1 (0.50) | CYP2C19CYP1A2POLBTSHRCYP3A4 | |
| SCHEMBL23488148 | 0.61 | ALDH1A1 (0.38) | MCOLN2CYP2C19CYP1A2POLBTSHR | |
| SCHEMBL25009055 | 0.61 | CYP1A2 (0.37) | CYP2C19CYP1A2POLBTDP1ALDH1A1 | |
| SCHEMBL4409109 | 0.61 | ALDH1A1 (0.49) | CYP2C19CYP1A2POLBTSHRCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-9890123-B2 | 6-aminoisoquinoline compounds | AERIE PHARMACEUTICALS, INC. (US) | 2018-02-13 | — | — | US | disclosed |