Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 6/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | IL17A | Q16552 | 2/20 | 0.33 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.33 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL2996925 | 1.00 | HTR2A (0.40) | HTR2AHTR2CCA2RORCMEN1 | |
| SCHEMBL16456530 | 0.87 | POLB (0.38) | MEN1KMT2ACCR2MMP1MMP13 | |
| SCHEMBL2992306 | 0.87 | POLB (0.38) | MEN1KMT2ACCR2MMP1MMP13 | |
| SCHEMBL2991411 | 0.86 | KMT2A (0.37) | HTR2AHTR2CMEN1KMT2APSIP1 | |
| SCHEMBL5753723 | 0.86 | KMT2A (0.37) | HTR2AHTR2CMEN1KMT2APSIP1 | |
| SCHEMBL16456497 | 0.71 | CCR2 (0.49) | HTR2AHTR2CCCR2 | |
| SCHEMBL2996923 | 0.71 | CCR2 (0.49) | HTR2AHTR2CCCR2 | |
| SCHEMBL29296587 | 0.71 | CA2 (0.50) | CA2MEN1KMT2APSIP1MMP1 | |
| SCHEMBL22254882 | 0.70 | SLC6A4 (0.33) | HTR2AHTR2CMCHR1 | |
| SCHEMBL5033532 | 0.66 | OPRM1 (0.36) | — |
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-1620391-B1 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL MYERS SQUIBB CO (US) | 2014-01-15 | — | — | EP | disclosed |