Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 4/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
| ▸ | LATS1 | O95835 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | MPO | P05164 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | PLOD2 | O00469 | 2/20 | 0.36 |
| ▸ | PLOD3 | O60568 | 2/20 | 0.36 |
| ▸ | PLOD1 | Q02809 | 2/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HMGCR | P04035 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17047180 | 1.00 | CYP2C19 (0.44) | CYP2C19HIF1ALMNAKIF11NAPRT | |
| SCHEMBL167044 | 0.82 | CYP2C19 (0.64) | CYP2C19HIF1AKIF11CYP1A2CYP3A4 | |
| SCHEMBL2295046 | 0.82 | CYP2C19 (0.64) | CYP2C19HIF1AKIF11CYP1A2CYP3A4 | |
| SCHEMBL2300536 | 0.82 | CYP2C19 (0.64) | CYP2C19HIF1AKIF11CYP1A2CYP3A4 | |
| SCHEMBL28773067 | 0.82 | ALDH1A1 (0.45) | CYP2C19HIF1ALMNAKIF11NAPRT | |
| Hydrochloric Acid SCHEMBL5860902 | 0.81 | CYP2C19 (0.62) | CYP2C19HIF1AKIF11CYP1A2KDM4E | |
| SCHEMBL5929601 | 0.81 | CYP2C19 (0.47) | CYP2C19HIF1ALMNAKIF11NAPRT | |
| SCHEMBL17047197 | 0.81 | CYP2C19 (0.41) | CYP2C19HIF1ALATS1CYP1A2KDM4E | |
| SCHEMBL17047076 | 0.80 | CYP1A2 (0.50) | CYP2C19HIF1ALMNANAPRTCYP1A2 | |
| SCHEMBL15042204 | 0.80 | CYP1A2 (0.50) | CYP2C19HIF1ALMNANAPRTCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114729006-A | Cyclic peptide compounds having Kras inhibitory activity | 中外制药株式会社 | 2022-07-08 | — | — | CN | disclosed |