Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8401192 | 0.92 | HTT (0.47) | HTTPTGS2PDE7APDE3AHTR1A | |
| SCHEMBL30139585 | 0.74 | HTT (0.44) | HTTPTGS2HTR1AADRA1DADRA1A | |
| SCHEMBL335568 | 0.74 | HTT (0.44) | HTTPTGS2HTR1AADRA1DADRA1A | |
| SCHEMBL4878845 | 0.72 | NQO1 (0.45) | MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL4238902 | 0.71 | NQO1 (0.46) | HTR1AALDH1A1MAPT | |
| SCHEMBL8400160 | 0.68 | MEN1 (0.53) | HTTMEN1KMT2ACYP19A1ALDH1A1 | |
| SCHEMBL8970628 | 0.68 | MMP1 (0.48) | HTTPDE7AMEN1KMT2ACYP19A1 | |
| SCHEMBL13475516 | 0.67 | MAOB (0.43) | MEN1KMT2ACYP19A1ALDH1A1LMNA | |
| SCHEMBL4880032 | 0.67 | NQO1 (0.39) | HTR1AMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL8075081 | 0.67 | S100A4 (0.45) | HTTMEN1KMT2ACYP19A1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5563022-A | MIXTURE OF WATER INSOLUBLE ORGANIC BINDER HAVING ACID-LABILE ETHER, ESTER OR CARBONATE GROUPS OR BEING SOLUBLE IN ALKALINE SOLUTIONS, ORGANIC COMPOUND WHOSE SOLUBILITY IS INCREASED BY ACID, ARYLSULFONIC ESTER | BASF AKTIENGESELLSCHAFT (DE) | 1996-10-08 | — | — | US | disclosed |