Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 2/20 | 0.31 |
| ▸ | MGAM | O43451 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL8201406 | 1.00 | MEN1 (0.36) | MEN1NPC1KMT2ACYP1A2CYP2C9 | |
| SCHEMBL8202169 | 0.86 | CYP2D6 (0.38) | MEN1KMT2ACYP2D6HDAC3HDAC1 | |
| SCHEMBL8202165 | 0.86 | CYP2D6 (0.38) | MEN1KMT2ACYP2D6HDAC3HDAC1 | |
| SCHEMBL8192997 | 0.82 | MEN1 (0.39) | MEN1KMT2ACYP2D6HDAC3HDAC1 | |
| SCHEMBL8192995 | 0.82 | MEN1 (0.39) | MEN1KMT2ACYP2D6HDAC3HDAC1 | |
| SCHEMBL22664763 | 0.81 | CYP2D6 (0.35) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL7311828 | 0.78 | CYP2D6 (0.39) | MEN1NPC1KMT2ACYP1A2CYP2C9 | |
| SCHEMBL3314248 | 0.74 | HDAC3 (0.42) | MEN1KMT2ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4831221 | 0.73 | GAA (0.40) | MEN1NPC1KMT2ACYP1A2CYP2C9 | |
| SCHEMBL28085757 | 0.73 | CYP2D6 (0.42) | MEN1KMT2ACYP1A2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0882138-B1 | STEREOSELECTIVE PREPARATION OF 2-SUBSTITUTED SUCCINIC DERIVATIVES | BOEHRINGER INGELHEIM CA LTD (CA) | 2000-07-05 | — | — | EP | disclosed |
| US-5808085-A | CHEMICAL INTERMEDIATES FOR RENIN INHIBITING COMPOUNDS | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 1998-09-15 | — | — | US | disclosed |