Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGER1 | P34995 | 1/20 | 0.53 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.53 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.53 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.53 |
| ▸ | FFAR1 | O14842 | 4/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 2/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP12 | P39900 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | MMP14 | P50281 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8164364 | 0.90 | PTGER1 (0.52) | PTGER1PTGER4PTGER3PTGER2FFAR1 | |
| SCHEMBL11489428 | 0.86 | BCAT2 (0.44) | PTGER1PTGER4PTGER3PTGER2CASP1 | |
| Acetic Acid SCHEMBL11241266 | 0.83 | PTGER1 (0.41) | PTGER1PTGER4PTGER3PTGER2CASP1 | |
| SCHEMBL11397704 | 0.80 | KMT2A (0.44) | FFAR1CASP1KMT2ACYP1A2TSHR | |
| 3-Methylbutanoic Acid SCHEMBL29875322 | 0.79 | SLC25A5 (0.49) | FFAR1CASP1KMT2AADAMTS4CYP1A2 | |
| SCHEMBL28751520 | 0.79 | CA12 (0.42) | PTGER1PTGER4PTGER3PTGER2KMT2A | |
| SCHEMBL7714320 | 0.79 | KMT2A (0.43) | FFAR1CASP1KMT2ACYP1A2TSHR | |
| SCHEMBL6841260 | 0.78 | FFAR1 (0.49) | FFAR1 | |
| SCHEMBL11487075 | 0.78 | TRPA1 (0.46) | KMT2APPARAPPARGTSHRPTGS2 | |
| SCHEMBL559436 | 0.78 | TSHR (0.62) | PTGER1PTGER4PTGER3PTGER2FFAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4239759-A | Morpholino containing compounds, compositions and use thereof | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1980-12-16 | — | — | US | disclosed |
| US-4110447-A | Anti-inflammatory (halo-4-biphenylyl)-alkanolamines | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1978-08-29 | — | — | US | disclosed |
| US-4011336-A | ANTIPHLOGISTIC AGENTS | BASF AKTIENGESELLSCHAFT (DT) | 1977-03-08 | — | — | US | disclosed |