Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 8/20 | 0.42 |
| ▸ | DRD2 | P14416 | 6/20 | 0.42 |
| ▸ | HTR7 | P34969 | 4/20 | 0.41 |
| ▸ | DRD3 | P35462 | 3/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9756683 | 0.84 | CASP1 (0.43) | HTR1ADRD2KDM4EALDH1A1HTT | |
| SCHEMBL9131819 | 0.77 | CASP1 (0.50) | — | |
| SCHEMBL9690061 | 0.76 | CASP1 (0.51) | — | |
| SCHEMBL9671054 | 0.74 | ALDH1A1 (0.46) | ALDH1A1SIGMAR1 | |
| SCHEMBL1085753 | 0.74 | HTR1A (0.65) | HTR1ADRD2HTR7DRD3HTR2A | |
| SCHEMBL9756638 | 0.73 | GBA1 (0.49) | — | |
| SCHEMBL9689589 | 0.72 | CASP1 (0.47) | — | |
| SCHEMBL29183995 | 0.69 | DRD2 (0.43) | HTR1ADRD2HTR7DRD3HTR6 | |
| SCHEMBL29183819 | 0.69 | PIK3CA (0.60) | — | |
| SCHEMBL28390299 | 0.68 | PAOX (0.53) | HTR1AHTR7ALDH1A1SIGMAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1992018089-A2 | USE OF STEROIDAL AND NON-STEROIDAL AMINES TO SENSITIZE MULTIDRUG-RESISTANT CELLS | THE UPJOHN COMPANY (US) | 1992-10-29 | — | — | WO | claimed |
| US-5436337-A | Anticarcinogenic agents | THE UPJOHN COMPANY (US) | 1995-07-25 | — | — | US | disclosed |
| WO-1992018089-A2 | USE OF STEROIDAL AND NON-STEROIDAL AMINES TO SENSITIZE MULTIDRUG-RESISTANT CELLS | THE UPJOHN COMPANY (US) | 1992-10-29 | — | — | WO | disclosed |