Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | CCR6 | P51684 | 1/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | LTA4H | P09960 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
| ▸ | CCR5 | P51681 | 1/20 | 0.33 |
| ▸ | EPOR | P19235 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL686798 | 0.84 | CCR6 (0.40) | CYP3A4CCR6PAX8MAPK1ABCB1 | |
| SCHEMBL25449194 | 0.69 | CCR6 (0.46) | MAPTKMT2ACYP3A4CCR6PAX8 | |
| SCHEMBL21012224 | 0.69 | CCR6 (0.46) | MAPTKMT2ACYP3A4CCR6PAX8 | |
| SCHEMBL12023054 | 0.68 | CCR6 (0.47) | KMT2ACYP3A4CCR6PAX8MAPK1 | |
| SCHEMBL3083608 | 0.68 | CCR6 (0.58) | MAPTKMT2ACYP3A4CCR6PAX8 | |
| Carbamic Acid SCHEMBL25282587 | 0.67 | CCR6 (0.55) | MAPTKMT2ACYP3A4CCR6PAX8 | |
| Hydrochloric Acid SCHEMBL11685224 | 0.66 | MAPK1 (0.55) | KDM4EMEN1MAPTKMT2ACYP1A2 | |
| SCHEMBL565993 | 0.66 | CCR6 (0.44) | MEN1MAPTKMT2ACCR6PAX8 | |
| SCHEMBL1328808 | 0.66 | CCR6 (0.50) | MAPTKMT2ACYP3A4CCR6PAX8 | |
| SCHEMBL14476880 | 0.65 | CCR6 (0.63) | MAPTKMT2ACYP3A4CCR6PAX8 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1667966-B1 | N-ALKYLATED DIAMINOPROPANE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL MYERS SQUIBB CO (US) | 2012-02-29 | — | — | EP | disclosed |