Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9497727 | 0.81 | PKM (0.50) | KMT2ABCHEACHECA12CA1 | |
| SCHEMBL9497997 | 0.80 | PKM (0.52) | KMT2ACA12CA1CA2CA9 | |
| SCHEMBL12932409 | 0.78 | SMN1; SMN2 (0.70) | SMN1; SMN2TP53KMT2ACYP2D6BCHE | |
| SCHEMBL10503806 | 0.77 | TP53 (0.31) | SMN1; SMN2TP53ALDH1A1POLB | |
| SCHEMBL15981948 | 0.76 | SMN1; SMN2 (0.68) | SMN1; SMN2TP53KMT2ACYP2D6BCHE | |
| Fumaric Acid SCHEMBL9795234 | 0.74 | PKM (0.45) | KMT2ACA12CA1CA2CA9 | |
| SCHEMBL9795391 | 0.74 | DNM1 (0.40) | CYP2D6CA12CA1CA2CA9 | |
| SCHEMBL13349454 | 0.74 | SMN1; SMN2 (0.51) | SMN1; SMN2TP53KMT2ACYP2D6BCHE | |
| SCHEMBL9795136 | 0.71 | MAPT (0.43) | SMN1; SMN2KMT2ACYP2D6CA12CA1 | |
| SCHEMBL10631720 | 0.71 | SMN1; SMN2 (0.52) | SMN1; SMN2TP53KMT2ACYP2D6BCHE |
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 |
|---|---|---|---|---|---|---|---|
| US-5037849-A | For treatment of heart and circulatory diseases | BOEHRINGER MANNHEIM GMBH (DE) | 1991-08-06 | — | — | US | disclosed |