Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | CTSG | P08311 | 1/20 | 0.33 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.33 |
| ▸ | CMA1 | P23946 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | RBP4 | P02753 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6072557 | 0.93 | ABL1 (0.35) | CYP2C19HIF1AABL1POLBKCNN4 | |
| SCHEMBL6546547 | 0.86 | CYP2C19 (0.35) | CYP2C19HIF1AABL1POLBCYP3A4 | |
| SCHEMBL6656947 | 0.85 | NR4A2 (0.38) | CYP2C19HIF1ASMN1; SMN2RBP4 | |
| SCHEMBL9845210 | 0.85 | ELANE (0.39) | CYP2C19HIF1AABL1PRSS1CTSG | |
| SCHEMBL4644895 | 0.85 | TSHR (0.35) | CYP2C19HIF1AABL1SMN1; SMN2TSHR | |
| SCHEMBL6545076 | 0.83 | KDM4E (0.36) | CYP2C19HIF1ARECQLABL1SMN1; SMN2 | |
| SCHEMBL4647513 | 0.83 | CYP2C19 (0.33) | CYP2C19HIF1AABL1CYP3A4HTT | |
| SCHEMBL4647641 | 0.83 | ALDH1A1 (0.36) | CYP2C19HIF1AABL1POLBHTT | |
| SCHEMBL5974108 | 0.83 | ATM (0.32) | CYP2C19ABL1PRSS1CTSGCTRB1 | |
| SCHEMBL6663589 | 0.83 | TSHR (0.41) | CYP2C19HIF1ASMN1; SMN2TSHRMAPT |
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-2006090377-A1 | ONE-POT NON-SYMMETRIC HETEROBIFUNCTIONAL COUPLING OF ORGANIC MOLECULES THROUGH MALONIC ACID DERIVATIVES | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) | 2006-08-31 | — | — | WO | disclosed |