Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GMNN | O75496 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | SCN1A | P35498 | 7/20 | 0.40 |
| ▸ | SCN8A | Q9UQD0 | 7/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8792659 | 0.94 | GMNN (0.38) | GMNNALDH1A1LMNATP53CYP3A4 | |
| SCHEMBL8410140 | 0.86 | SCN1A (0.41) | SCN1ASCN8AKDM4EGAAOPRM1 | |
| SCHEMBL8406925 | 0.84 | DRD2 (0.54) | GMNNALDH1A1LMNATP53CYP3A4 | |
| SCHEMBL8406857 | 0.82 | OPRM1 (0.43) | GMNNALDH1A1LMNATP53CYP3A4 | |
| SCHEMBL8409680 | 0.82 | ACHE (0.40) | SCN1ASCN8AKDM4EGAAACHE | |
| SCHEMBL9092750 | 0.81 | ACHE (0.43) | SCN1ASCN8AKDM4EGAASIGMAR1 | |
| SCHEMBL8406485 | 0.78 | MAPK1 (0.46) | SCN1ASCN8AOPRM1SIGMAR1ACHE | |
| SCHEMBL9090833 | 0.78 | CACNA1B (0.33) | ALDH1A1CYP2D6 | |
| SCHEMBL8409470 | 0.77 | DRD2 (0.53) | GMNNALDH1A1LMNATP53CYP3A4 | |
| SCHEMBL9095459 | 0.76 | DRD2 (0.52) | GMNNALDH1A1LMNATP53CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5866589-A | Alkyl substituted piperadinyl and piperazinyl anti-AIDS compounds | PHARMACIA & UPJOHN COMPANY (US) | 1999-02-02 | — | — | US | disclosed |
| WO-1996018628-A1 | ALKYL SUBSTITUTED PIPERADINYL AND PIPERAZINYL ANTI-AIDS COMPOUNDS | PHARMACIA & UPJOHN COMPANY (US) | 1996-06-20 | — | — | WO | disclosed |