Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 3/20 | 0.33 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | TYMP | P19971 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4463284 | 0.78 | ROCK2 (0.36) | — | |
| SCHEMBL6621733 | 0.74 | ACE (0.33) | POLBLMNACYP2D6TSHR | |
| SCHEMBL26098509 | 0.71 | DAO (0.46) | HTR2ADAOACHEUSP2POLB | |
| SCHEMBL4461636 | 0.70 | GRM2 (0.36) | OPRM1SIGMAR1 | |
| SCHEMBL4518289 | 0.68 | HRH3 (0.41) | DAOACHEPOLBHRH3GLA | |
| SCHEMBL29958643 | 0.68 | DAO (0.38) | DAOUSP2POLBALOX15PARP1 | |
| SCHEMBL5072825 | 0.68 | GRM2 (0.41) | — | |
| SCHEMBL11576869 | 0.67 | KDM4E (0.43) | POLBSIGMAR1SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL3224637 | 0.67 | HTR2A (0.35) | HTR2A | |
| SCHEMBL3545618 | 0.67 | TSHR (0.43) | DAOACHEUSP2POLBALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1981911-A2 | SYNERGISTIC COMPOSITIONS FOR TREATING HIV | F.HOFFMANN-LA ROCHE AG (CH) | 2008-10-22 | — | — | EP | disclosed |
| WO-2007085567-A2 | SYNERGISTIC COMPOSITIONS FOR TREATING HIV | F. HOFFMANN-LA ROCHE AG (CH) | 2007-08-02 | — | — | WO | disclosed |