Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | CASP3 | P42574 | 1/20 | 0.50 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.45 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.45 |
| ▸ | CDC25B | P30305 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7433697 | 0.82 | CYP3A4 (0.57) | GAANPSR1KMT2APOLBCASP3 | |
| SCHEMBL9047484 | 0.81 | CDC25B (0.51) | NPSR1KMT2APOLBCYP3A4SMN1; SMN2 | |
| SCHEMBL5486180 | 0.81 | CASP3 (0.58) | GAANPSR1KMT2APOLBCASP3 | |
| SCHEMBL7411516 | 0.78 | TSHR (0.54) | NPSR1KMT2APOLBCYP3A4SMN1; SMN2 | |
| SCHEMBL16035689 | 0.77 | PTGS1 (0.49) | GAAHTTNR1H4LMNACDC25B | |
| SCHEMBL5036095 | 0.77 | NR1H4 (0.52) | GAAKMT2AHTTNR1H4HSD17B10 | |
| SCHEMBL28521117 | 0.76 | CASP3 (0.56) | GAANPSR1KMT2APOLBCASP3 | |
| SCHEMBL2339398 | 0.76 | GAA (0.63) | GAANPSR1KMT2ACYP3A4HTT | |
| SCHEMBL7438219 | 0.76 | MAPT (0.67) | GAANPSR1KMT2ACASP3SENP6 | |
| SCHEMBL1010387 | 0.75 | CYP1A2 (0.73) | GAACYP3A4SMN1; SMN2MAPTHPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002088096-A1 | COMPOUNDS INHIBITING CYCLIC NUCLEOTIDE PHOSPHODIESTERASES, PREPARATION AND USES THEREOF | NEURO3D (FR) | 2002-11-07 | — | — | WO | disclosed |
| EP-0981521-A2 | NOVEL MACROCYCLIC COMPOUNDS AS METALLOPROTEASE INHIBITORS | Dupont Pharmaceuticals Company (US) | 2000-03-01 | — | — | EP | disclosed |
| WO-1998051665-A2 | NOVEL MACROCYCLIC COMPOUNDS AS METALLOPROTEASE INHIBITORS | DUPONT PHARMACEUTICALS COMPANY (US) | 1998-11-19 | — | — | WO | disclosed |