Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL18850978 | 0.95 | TDP1 (0.50) | TDP1MEN1KMT2ANPSR1HSD11B1 | |
| SCHEMBL8148004 | 0.90 | TDP1 (0.51) | TDP1MEN1KMT2ANPSR1CYP2C19 | |
| SCHEMBL4781902 | 0.87 | NPSR1 (0.60) | TDP1MEN1KMT2ANPSR1CYP2C19 | |
| SCHEMBL13306274 | 0.87 | — | — | |
| SCHEMBL8146671 | 0.83 | NPSR1 (0.44) | TDP1MEN1KMT2ANPSR1CYP2C19 | |
| SCHEMBL18850977 | 0.81 | HTR4 (0.41) | TDP1MEN1KMT2AHSD11B1POLB | |
| SCHEMBL2091285 | 0.81 | HDAC2 (0.54) | NPSR1CYP2C19POLBCA12CA1 | |
| SCHEMBL8153040 | 0.80 | ALDH1A1 (0.49) | TDP1MEN1KMT2ANPSR1CYP2C19 | |
| SCHEMBL8145102 | 0.80 | TDP1 (0.46) | TDP1MEN1KMT2APOLBNPC1 | |
| SCHEMBL8139006 | 0.79 | NPSR1 (0.52) | TDP1NPSR1CYP2C19CA12CA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017075694-A1 | ANTIBIOTIC COMPOUNDS, PHARMACEUTICAL FORMULATIONS THEREOF AND METHODS AND USES THEREFOR | SIMON FRASER UNIVERSITY (CA) | 2017-05-11 | — | — | WO | disclosed |
| WO-2008119741-A2 | 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES | NOVARTIS AG (CH) | 2008-10-09 | — | — | WO | disclosed |