Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR4 | O95977 | 4/20 | 0.37 |
| ▸ | ITK | Q08881 | 1/20 | 0.34 |
| ▸ | IDH1 | O75874 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | RET | P07949 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18851604 | 0.83 | ITK (0.37) | S1PR4ITKKDM4EMAPTSMN1; SMN2 | |
| SCHEMBL18851095 | 0.83 | ITK (0.37) | S1PR4ITKIDH1KDM4EMAPT | |
| SCHEMBL18851606 | 0.83 | S1PR4 (0.36) | S1PR4ITKIDH1KDM4EMAPT | |
| SCHEMBL18851432 | 0.83 | KDM4E (0.45) | ITKIDH1KDM4EMAPTALDH1A1 | |
| SCHEMBL18851434 | 0.80 | KDM4E (0.41) | S1PR4IDH1KDM4EMAPTALDH1A1 | |
| SCHEMBL18849023 | 0.79 | AMY1A (0.42) | ITKIDH1KDM4EMAPTSMN1; SMN2 | |
| SCHEMBL18851094 | 0.79 | HPGD (0.34) | S1PR4ITKKDM4EMAPTSMN1; SMN2 | |
| SCHEMBL18851448 | 0.78 | ACLY (0.34) | S1PR4NPC1RAB9A | |
| SCHEMBL18851162 | 0.77 | PTGDR2 (0.44) | SMN1; SMN2NPC1RAB9ATDP1TSHR | |
| SCHEMBL18851251 | 0.76 | LMNA (0.50) | IDH1KDM4EMAPTSMN1; SMN2HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017075694-A1 | ANTIBIOTIC COMPOUNDS, PHARMACEUTICAL FORMULATIONS THEREOF AND METHODS AND USES THEREFOR | SIMON FRASER UNIVERSITY (CA) | 2017-05-11 | — | — | WO | disclosed |