Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.35 |
| ▸ | AKT2 | P31751 | 2/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.35 |
| ▸ | KCNJ1 | P48048 | 7/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL8009849 | 1.00 | HRH3 (0.37) | HRH3PDPK1AKT2CNR1ABCB1 | |
| SCHEMBL8009405 | 0.96 | MEN1 (0.36) | HRH3PDPK1AKT2CNR1KCNJ1 | |
| SCHEMBL8009411 | 0.96 | MEN1 (0.36) | HRH3PDPK1AKT2CNR1KCNJ1 | |
| SCHEMBL8012310 | 0.93 | HRH3 (0.38) | HRH3PDPK1AKT2CNR1ABCB1 | |
| SCHEMBL8012312 | 0.93 | HRH3 (0.38) | HRH3PDPK1AKT2CNR1ABCB1 | |
| SCHEMBL8000723 | 0.93 | CASP1 (0.40) | PDPK1AKT2CNR1EGFRMEN1 | |
| SCHEMBL8000714 | 0.93 | CASP1 (0.40) | PDPK1AKT2CNR1EGFRMEN1 | |
| SCHEMBL8017088 | 0.93 | CNR1 (0.36) | PDPK1AKT2CNR1EGFRMEN1 | |
| SCHEMBL8017092 | 0.93 | CNR1 (0.36) | PDPK1AKT2CNR1EGFRMEN1 | |
| SCHEMBL8012613 | 0.92 | CASP1 (0.40) | CNR1EGFRMEN1KMT2AALDH1A1 |
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-6043254-A | ANTIPROLIFERATIVE AGENT; ENZYME INHIBITOR | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-03-28 | — | — | US | disclosed |