Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | ACACB | O00763 | 5/20 | 0.45 |
| ▸ | ACACA | Q13085 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.42 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.42 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.42 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.42 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.42 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL462647 | 0.91 | ACACB (0.50) | FFAR1MEN1KMT2AACACB | |
| SCHEMBL1822727 | 0.78 | FAAH (0.58) | PTGS2MAPTRAB9ASMN1; SMN2AKR1C3 | |
| SCHEMBL12677082 | 0.72 | MTNR1B (0.56) | MEN1KMT2AMAPTTSHRRAB9A | |
| SCHEMBL1819860 | 0.68 | MAPT (0.62) | PTGS2MEN1KMT2AMAPTSMN1; SMN2 | |
| SCHEMBL16214695 | 0.68 | SMN1; SMN2 (0.60) | ACACBMAPTTSHRRAB9ASMN1; SMN2 | |
| SCHEMBL16214700 | 0.68 | ACACB (0.64) | ACACB | |
| SCHEMBL27513384 | 0.67 | AKR1C3 (0.57) | PTGS2ACACBACACATSHRAKR1C3 | |
| SCHEMBL13255719 | 0.67 | SMN1; SMN2 (0.61) | MEN1KMT2ATSHRRAB9ASMN1; SMN2 | |
| SCHEMBL16214701 | 0.66 | ACACB (0.57) | ACACBRAB9A | |
| SCHEMBL5881684 | 0.66 | AKR1C3 (0.73) | PTGS2ACACBTSHRAKR1C3AKR1C2 |
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-2012032014-A1 | ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-03-15 | — | — | WO | disclosed |