Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1206984 | 0.91 | — | — | |
| SCHEMBL23106 | 0.91 | — | — | |
| Acetic Acid SCHEMBL957951 | 0.89 | CYP1A2 (0.52) | CYP1A2TDP1KDM4ESMN1; SMN2HPGD | |
| SCHEMBL14034527 | 0.88 | TDP1 (0.57) | CYP1A2TDP1KMT2AKDM4ESMN1; SMN2 | |
| SCHEMBL3438657 | 0.88 | TDP1 (0.57) | CYP1A2TDP1KMT2AKDM4ESMN1; SMN2 | |
| SCHEMBL896298 | 0.88 | — | — | |
| SCHEMBL60330 | 0.88 | TDP1 (0.57) | CYP1A2TDP1KMT2AKDM4ESMN1; SMN2 | |
| SCHEMBL17901788 | 0.88 | TDP1 (0.57) | CYP1A2TDP1KMT2AKDM4ESMN1; SMN2 | |
| SCHEMBL14506909 | 0.88 | TDP1 (0.57) | CYP1A2TDP1KMT2AKDM4ESMN1; SMN2 | |
| SCHEMBL8053 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101932321-B | Combination therapy comprising an SGLT inhibitor and a DPP4 inhibitor | MITSUBISHI TANABE PHARMA CORP. (JP) | 2016-05-18 | — | — | CN | disclosed |