Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | BACE1 | P56817 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | TNF | P01375 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
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 | 0.87 | SCN9A (0.54) | ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A | |
| SCHEMBL9959606 | 0.84 | NPC1 (0.52) | ALDH1A1HSD17B10TP53ACHEBACE1 | |
| SCHEMBL9958520 | 0.84 | ERCC1 (0.47) | — | |
| SCHEMBL10154090 | 0.83 | KCNA5 (0.47) | ALDH1A1TP53KMT2ASMN1; SMN2PKM | |
| SCHEMBL9953442 | 0.83 | KCNA5 (0.53) | ALDH1A1SMN1; SMN2POLBLMNA | |
| SCHEMBL9953785 | 0.82 | ALDH1A1 (0.55) | ALDH1A1KMT2ASMN1; SMN2PKMHTT | |
| SCHEMBL9953409 | 0.81 | POLB (0.50) | ALDH1A1SMN1; SMN2RAB9APOLB | |
| SCHEMBL9952811 | 0.76 | MALT1 (0.51) | ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A | |
| SCHEMBL10153604 | 0.76 | KCNA5 (0.47) | ALDH1A1TP53KMT2ASMN1; SMN2NPC1 | |
| SCHEMBL9958658 | 0.75 | PRMT5 (0.51) | ALDH1A1KMT2ASMN1; SMN2POLBMEN1 |
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 |