Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 2/20 | 0.48 |
| ▸ | ACACA | Q13085 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPY2R | P49146 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL8415707 | 0.84 | FFAR1 (0.53) | ACACBACACANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8282776 | 0.82 | ACACB (0.48) | ACACBACACANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL12021892 | 0.80 | L3MBTL1 (0.57) | NPC1RAB9ASMN1; SMN2HTTLMNA | |
| SCHEMBL8226480 | 0.80 | ACACB (0.46) | ACACBACACANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL26232436 | 0.78 | NPC1 (0.73) | ACACBACACANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL24092055 | 0.76 | TP53 (0.52) | ACACBACACANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL16202099 | 0.75 | S1PR1 (0.55) | ACACBACACANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL201607 | 0.74 | NOTUM (0.70) | ACACBACACANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL12021977 | 0.74 | HDAC4 (0.43) | — | |
| SCHEMBL14873222 | 0.73 | ACACB (0.57) | ACACBACACANPC1RAB9ASMN1; SMN2 |
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-1934227-B1 | 2-HETEROARYL-PYRAZOLO-[4, 3-e]-1, 2, 4-TRIAZOLO-[1,5-c]-PYRIMIDINE AS ADENOSINE A2a RECEPTOR ANTAGONISTS | SCHERING CORP (US) | 2011-12-21 | — | — | EP | disclosed |