Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 4/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.35 |
| ▸ | SOST | Q9BQB4 | 1/20 | 0.34 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8149064 | 0.80 | SLC6A4 (0.51) | SLC6A4SLC6A2SLC6A3CYP11B1CYP11B2 | |
| SCHEMBL12548100 | 0.78 | CHRNB2 (0.52) | SLC6A4SLC6A2SLC6A3CYP11B1CYP11B2 | |
| SCHEMBL24135046 | 0.77 | CHRNB2 (0.42) | SLC6A4SLC6A2SLC6A3CYP11B1CYP11B2 | |
| SCHEMBL3976911 | 0.74 | SIRT3 (0.40) | CYP11B1CYP11B2SIRT3TDP1GABRA1 | |
| SCHEMBL4310308 | 0.74 | MAPT (0.46) | — | |
| SCHEMBL212818 | 0.73 | — | — | |
| SCHEMBL30335585 | 0.73 | — | — | |
| SCHEMBL5513954 | 0.72 | MMP13 (0.39) | MMP13HTTCYP2C9CYP1A2CYP3A4 | |
| SCHEMBL31336994 | 0.71 | NOS1 (0.39) | CYP11B1CYP11B2SIRT3TDP1GABRA1 | |
| SCHEMBL23580328 | 0.71 | NOS1 (0.39) | CYP11B1CYP11B2SIRT3TDP1GABRA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020023851-A1 | BIFUNCTIONAL SUBSTITUED PYRIMIDINES AS MODULATORS OF FAK PROTEOLYSE | YALE UNIVERSITY (US) | 2020-01-30 | — | — | WO | disclosed |