Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.63 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | CASP7 | P55210 | 2/20 | 0.41 |
| ▸ | RGS12 | O14924 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29089233 | 0.81 | PARP1 (0.66) | PARP1NPSR1GSK3BMEN1KMT2A | |
| SCHEMBL339347 | 0.79 | PARP1 (0.63) | PARP1NPSR1GSK3BMEN1KMT2A | |
| SCHEMBL29053384 | 0.79 | PARP1 (0.63) | PARP1NPSR1GSK3BMEN1KMT2A | |
| SCHEMBL21450709 | 0.79 | PARP1 (0.63) | PARP1NPSR1GSK3BMEN1KMT2A | |
| SCHEMBL3852142 | 0.79 | PARP1 (0.63) | PARP1NPSR1GSK3BMEN1KMT2A | |
| SCHEMBL1756367 | 0.79 | PARP1 (0.63) | PARP1NPSR1GSK3BMEN1KMT2A | |
| SCHEMBL28935123 | 0.79 | PARP1 (0.63) | PARP1NPSR1GSK3BMEN1KMT2A | |
| Pyrene SCHEMBL28900225 | 0.79 | PARP1 (0.91) | PARP1NPSR1GSK3BMEN1KMT2A | |
| SCHEMBL2487811 | 0.79 | PARP1 (1.00) | PARP1NPSR1GSK3BMEN1KMT2A | |
| SCHEMBL57038 | 0.79 | PARP1 (1.00) | PARP1NPSR1GSK3BMEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1081152-B1 | Triaza-cryptand and method of determining an alkali ion | HOFFMANN LA ROCHE (CH) | 2004-10-06 | — | — | EP | disclosed |
| US-6211359-B1 | QUANTITATIVE ANALYSIS | AVL MEDICAL INSTRUMENTS (CH) | 2001-04-03 | — | — | US | disclosed |
| EP-1081152-A1 | Triaza-cryptand and method of determining an alkali ion | AVL Medical Instruments AG (CH) | 2001-03-07 | — | — | EP | disclosed |
| US-4081446-A | DEHALOGENATION, AMMONIATION | HOECHST AKTIENGESELLSCHAFT (DT) | 1978-03-28 | — | — | US | disclosed |