Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | DPP4 | P27487 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CTSD | P07339 | 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 | |
|---|---|---|---|---|
| SCHEMBL17065349 | 1.00 | KMT2A (0.60) | KMT2ATSHRCYP1A2CYP2D6CYP3A4 | |
| Hydrochloric Acid SCHEMBL9024429 | 0.98 | KMT2A (0.58) | KMT2ATSHRCYP1A2CYP2D6CYP3A4 | |
| Hydrochloric Acid SCHEMBL7581262 | 0.98 | KMT2A (0.58) | KMT2ATSHRCYP1A2CYP2D6CYP3A4 | |
| Trifluoromethanesulfonic Acid SCHEMBL27498243 | 0.86 | KMT2A (0.46) | KMT2ATSHRCYP1A2CYP2D6CYP3A4 | |
| SCHEMBL8229829 | 0.83 | KMT2A (0.58) | KMT2ATSHRCYP1A2CYP2D6CYP3A4 | |
| SCHEMBL6166986 | 0.83 | KMT2A (0.58) | KMT2ATSHRCYP1A2CYP2D6CYP3A4 | |
| SCHEMBL31477408 | 0.83 | KMT2A (0.58) | KMT2ATSHRCYP1A2CYP2D6CYP3A4 | |
| SCHEMBL2502288 | 0.83 | KMT2A (0.58) | KMT2ATSHRCYP1A2CYP2D6CYP3A4 | |
| SCHEMBL1166933 | 0.83 | KMT2A (0.58) | KMT2ATSHRCYP1A2CYP2D6CYP3A4 | |
| SCHEMBL21343943 | 0.81 | KMT2A (0.67) | KMT2ATSHRCYP1A2CYP2D6CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106188224-A | A kind of multiple target-point anti-cancer medicine and preparation method and application | 广东工业大学 | 2016-12-07 | — | — | CN | claimed |
| CN-106188224-A | A kind of multiple target-point anti-cancer medicine and preparation method and application | 广东工业大学 | 2016-12-07 | — | — | CN | disclosed |