Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 4/20 | 0.35 |
| ▸ | MMP13 | P45452 | 4/20 | 0.35 |
| ▸ | ADAM17 | P78536 | 4/20 | 0.35 |
| ▸ | MMP1 | P03956 | 3/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ACAT1 | P24752 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7521457 | 0.85 | MTNR1A (0.44) | — | |
| SCHEMBL7517519 | 0.83 | SLC2A1 (0.46) | SLC2A1MMP9MMP13ADAM17MMP1 | |
| SCHEMBL20802184 | 0.81 | GPR84 (0.41) | GPR84PTGS2ALDH1A1AHRSLC2A1 | |
| SCHEMBL9079558 | 0.81 | GPR84 (0.41) | GPR84PTGS2ALDH1A1AHRSLC2A1 | |
| SCHEMBL18948482 | 0.79 | GPR84 (0.40) | GPR84PTGS2ALDH1A1AHRSLC2A1 | |
| SCHEMBL5041106 | 0.79 | SLC2A1 (0.54) | GPR84PTGS2ALDH1A1AHRSLC2A1 | |
| SCHEMBL6702192 | 0.78 | MTNR1A (0.46) | — | |
| SCHEMBL11832526 | 0.78 | GPR84 (0.39) | GPR84PTGS2ALDH1A1AHRSLC2A1 | |
| SCHEMBL11565356 | 0.76 | PTGS2 (0.39) | GPR84PTGS2ALDH1A1AHRSLC2A1 | |
| SCHEMBL7465208 | 0.76 | PPARG (0.43) | HTR1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1244617-A1 | SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE | Ortho-McNeil Pharmaceutical, Inc. (US) | 2002-10-02 | — | — | EP | disclosed |
| WO-2001047875-A1 | SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-07-05 | — | — | WO | disclosed |