Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | PDGFRB | P09619 | 3/20 | 0.43 |
| ▸ | PDGFRA | P16234 | 3/20 | 0.43 |
| ▸ | MGAM | O43451 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | NQO1 | P15559 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | OGA | O60502 | 1/20 | 0.41 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | BIRC5 | O15392 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20023742 | 1.00 | CYP1A2 (0.53) | CYP1A2PDGFRBPDGFRAMGAMNPSR1 | |
| SCHEMBL1253863 | 1.00 | CYP1A2 (0.53) | CYP1A2PDGFRBPDGFRAMGAMNPSR1 | |
| SCHEMBL28467592 | 1.00 | CYP1A2 (0.53) | CYP1A2PDGFRBPDGFRAMGAMNPSR1 | |
| SCHEMBL30447104 | 1.00 | CYP1A2 (0.53) | CYP1A2PDGFRBPDGFRAMGAMNPSR1 | |
| Hydrochloric Acid SCHEMBL3634472 | 0.98 | CYP1A2 (0.52) | CYP1A2PDGFRBPDGFRAMGAMNPSR1 | |
| SCHEMBL20030197 | 0.86 | CYP1A2 (0.50) | CYP1A2PDGFRBPDGFRAMGAMNPSR1 | |
| SCHEMBL2607479 | 0.85 | CYP1A2 (0.57) | CYP1A2PDGFRBPDGFRAMGAMNPSR1 | |
| SCHEMBL413133 | 0.83 | KDM4E (0.50) | CYP1A2MGAMNPSR1ALDH1A1NQO1 | |
| Hydrochloric Acid SCHEMBL440306 | 0.82 | ALDH1A1 (0.51) | CYP1A2MGAMNPSR1ALDH1A1NQO1 | |
| SCHEMBL25085747 | 0.81 | CYP1A2 (0.53) | CYP1A2PDGFRBPDGFRAMGAMNPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111518166-B | Peptidomimetics compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof | 中国药科大学 | 2023-01-31 | — | — | CN | claimed |
| CN-111518166-B | Peptidomimetics compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof | 中国药科大学 | 2023-01-31 | — | — | CN | disclosed |