Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 3/20 | 0.34 |
| ▸ | CCL5 | P13501 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | TNF | P01375 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | TACR1 | P25103 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 3/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4689729 | 0.86 | CCR5 (0.47) | HCRTR1HCRTR2CCR5CCL5TSHR | |
| SCHEMBL4694334 | 0.84 | HCRTR1 (0.43) | HCRTR1HCRTR2CCR5CCL5TNF | |
| SCHEMBL3281863 | 0.84 | HCRTR1 (0.48) | HCRTR1HCRTR2CCR5TNF | |
| SCHEMBL4690403 | 0.84 | HCRTR1 (0.39) | HCRTR1HCRTR2CCR5TNFALDH1A1 | |
| SCHEMBL4691534 | 0.82 | GFER (0.43) | HCRTR1HCRTR2CCR5TSHRALDH1A1 | |
| SCHEMBL4694815 | 0.81 | HCRTR1 (0.37) | HCRTR1HCRTR2CCR5CCL5TNF | |
| SCHEMBL4694788 | 0.81 | HCRTR1 (0.45) | HCRTR1HCRTR2CCR5TNFMAPT | |
| SCHEMBL3283594 | 0.81 | CCL5 (0.43) | CCR5CCL5 | |
| SCHEMBL4694763 | 0.80 | HCRTR1 (0.37) | HCRTR1HCRTR2CCR5TNFMAPT | |
| SCHEMBL4692329 | 0.80 | CCR5 (0.44) | HCRTR1HCRTR2CCR5TNFALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1761542-B1 | OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS | HOFFMANN LA ROCHE (CH) | 2008-01-02 | — | — | EP | claimed |