Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.68 |
| ▸ | RAB9A | P51151 | 6/20 | 0.61 |
| ▸ | MMP2 | P08253 | 1/20 | 0.59 |
| ▸ | MMP9 | P14780 | 1/20 | 0.59 |
| ▸ | MMP8 | P22894 | 1/20 | 0.59 |
| ▸ | MMP13 | P45452 | 1/20 | 0.59 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.54 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 7/20 | 0.53 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | CASP3 | P42574 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL5834631 | 0.87 | NPC1 (0.60) | NPC1RAB9APDGFRBPDGFRAMAPT | |
| SCHEMBL5834561 | 0.86 | NPC1 (0.57) | NPC1RAB9AMMP2MMP9MMP8 | |
| SCHEMBL5835809 | 0.86 | NPC1 (0.75) | NPC1RAB9AMMP2MMP9MMP8 | |
| SCHEMBL6686839 | 0.86 | NPC1 (0.65) | NPC1RAB9AMMP2MMP9MMP8 | |
| Dimethylamine SCHEMBL5834379 | 0.86 | NPC1 (0.59) | NPC1RAB9APDGFRBPDGFRAMAPT | |
| SCHEMBL10219550 | 0.85 | NPC1 (0.55) | NPC1RAB9AMMP2MMP9MMP8 | |
| SCHEMBL6686866 | 0.85 | NPC1 (0.64) | NPC1RAB9AMMP2MMP9MMP8 | |
| SCHEMBL6681482 | 0.85 | NPC1 (0.64) | NPC1RAB9APDGFRBPDGFRAMAPT | |
| SCHEMBL5834968 | 0.85 | NPC1 (0.64) | NPC1RAB9AMMP2MMP9MMP8 | |
| SCHEMBL6683915 | 0.85 | NPC1 (0.55) | NPC1RAB9AMMP2MMP9MMP8 |
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-2004067480-A2 | SUBSTITUTED PHENYLUREA DERIVATIVES AS HDAC INHIBITORS | OXFORD GLYCOSCIENCES (UK) LTD (GB) | 2004-08-12 | — | — | WO | disclosed |
| WO-2004067480-A2 | SUBSTITUTED PHENYLUREA DERIVATIVES AS HDAC INHIBITORS | OXFORD GLYCOSCIENCES (UK) LTD (GB) | 2004-08-12 | — | — | WO | disclosed |