Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.37 |
| ▸ | FDPS | P14324 | 1/20 | 0.36 |
| ▸ | FNTA | P49354 | 1/20 | 0.36 |
| ▸ | FNTB | P49356 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7740290 | 0.89 | CYP11B1 (0.49) | CYP2D6CYP1A2CYP11B1CYP11B2CYP2A6 | |
| SCHEMBL7738278 | 0.73 | SLC6A4 (0.40) | CYP2D6CYP1A2CYP11B1SMN1; SMN2CYP3A4 | |
| SCHEMBL7073814 | 0.71 | CYP1A2 (0.49) | CYP2D6CYP1A2CYP11B1FDPSFNTA | |
| SCHEMBL7452986 | 0.71 | CYP2D6 (0.49) | CYP2D6CYP1A2CYP11B1FDPSFNTA | |
| SCHEMBL28802382 | 0.66 | SLC6A2 (0.38) | CYP2D6CYP1A2RAB9AKDM4ESMN1; SMN2 | |
| SCHEMBL3467125 | 0.65 | SLC6A2 (0.43) | CYP2D6CYP1A2HTTRAB9AKDM4E | |
| SCHEMBL4935379 | 0.65 | CYP11B1 (0.70) | CYP2D6CYP1A2CYP11B1CYP11B2CYP2A6 | |
| SCHEMBL10871037 | 0.63 | CYP1A2 (0.54) | CYP2D6CYP1A2HTTCYP2A6 | |
| Hydrochloric Acid SCHEMBL28402340 | 0.63 | CYP11B1 (0.68) | CYP2D6CYP1A2CYP11B1CYP11B2CYP2A6 | |
| SCHEMBL31570747 | 0.63 | SLC6A2 (0.66) | CYP2D6CYP1A2FDPSHTTSMN1; SMN2 |
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-RE37781-E1 | VIRICIDES, PROTEASE INHIBITOR | DUPONT PHARMACEUTICALS COMPANY | 2002-07-02 | — | — | US | disclosed |