Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.70 |
| ▸ | IDH1 | O75874 | 1/20 | 0.51 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 4/20 | 0.50 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 5/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 3/20 | 0.49 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL19756251 | 1.00 | NPC1 (0.70) | NPC1IDH1HSP90AA1GAANOTUM | |
| SCHEMBL13030444 | 0.94 | NPC1 (0.77) | NPC1IDH1GAANOTUMMAPT | |
| SCHEMBL15005544 | 0.92 | NPC1 (0.60) | NPC1IDH1HSP90AA1GAAMAPT | |
| SCHEMBL19756248 | 0.92 | NPC1 (0.60) | NPC1IDH1HSP90AA1GAANOTUM | |
| SCHEMBL17403068 | 0.92 | NPC1 (0.60) | NPC1IDH1HSP90AA1GAAMAPT | |
| SCHEMBL17571544 | 0.92 | NPC1 (0.60) | NPC1IDH1NOTUMMAPTMEN1 | |
| SCHEMBL4411824 | 0.90 | NPC1 (0.58) | NPC1IDH1HSP90AA1GAAMAPT | |
| SCHEMBL29649707 | 0.90 | NPC1 (0.58) | NPC1IDH1HSP90AA1GAAMAPT | |
| SCHEMBL3013803 | 0.90 | NPC1 (0.58) | NPC1IDH1HSP90AA1GAAMAPT | |
| SCHEMBL13886328 | 0.87 | NPC1 (0.68) | NPC1IDH1GAANOTUMMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-8389719-B2 | Hydroxyphenyltriazines with an aromatic carbocyclic fused ring system | CIBA SPECIALTY CHEMICALS CORP. (US) | 2013-03-05 | — | — | US | disclosed |