Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | F2 | P00734 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.51 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10153615 | 0.84 | SCN9A (0.54) | ALDH1A1POLBLMNASMN1; SMN2MEN1 | |
| SCHEMBL9959177 | 0.84 | ALDH1A1 (0.56) | ALDH1A1POLBLMNASMN1; SMN2F2 | |
| SCHEMBL9958635 | 0.82 | ALDH1A1 (0.50) | ALDH1A1POLBLMNASMN1; SMN2MEN1 | |
| SCHEMBL9952866 | 0.78 | P2RX7 (0.44) | POLBLMNASMN1; SMN2MEN1KMT2A | |
| SCHEMBL9953442 | 0.76 | KCNA5 (0.53) | ALDH1A1POLBLMNASMN1; SMN2HPGD | |
| SCHEMBL10154090 | 0.74 | KCNA5 (0.47) | ALDH1A1LMNASMN1; SMN2MEN1KMT2A | |
| SCHEMBL10153604 | 0.73 | KCNA5 (0.47) | ALDH1A1POLBLMNASMN1; SMN2MEN1 | |
| SCHEMBL9958520 | 0.72 | ERCC1 (0.47) | — | |
| SCHEMBL14424787 | 0.72 | POLB (0.57) | ALDH1A1POLBLMNASMN1; SMN2MEN1 | |
| SCHEMBL9953409 | 0.72 | POLB (0.50) | ALDH1A1POLBSMN1; SMN2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012085003-A1 | 2-HYDROXYISOQUINOLINE-1,3(2H,4H)-DIONES AND RELATED COMPOUNDS USEFUL AS HIV REPLICATION INHIBITORS | KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) | 2012-06-28 | — | — | WO | disclosed |
| WO-2012085003-A1 | 2-HYDROXYISOQUINOLINE-1,3(2H,4H)-DIONES AND RELATED COMPOUNDS USEFUL AS HIV REPLICATION INHIBITORS | KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) | 2012-06-28 | — | — | WO | disclosed |