Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8251665 | 0.82 | PTGS2 (0.57) | HTTKDM4ENPC1TSHRRAB9A | |
| SCHEMBL8243215 | 0.75 | GPBAR1 (0.43) | TSHRPTGS2 | |
| SCHEMBL8250249 | 0.75 | PTGS1 (0.57) | NPC1RAB9AALDH1A1MAPTPKM | |
| SCHEMBL11518656 | 0.72 | PTGS2 (0.51) | HTTKDM4ENPC1TSHRRAB9A | |
| SCHEMBL4344964 | 0.70 | KDM4E (0.53) | HTTKDM4ENPC1TSHRRAB9A | |
| SCHEMBL14562090 | 0.69 | PTGS2 (0.64) | KDM4EPAX8NPC1RAB9AHSD17B10 | |
| SCHEMBL13615425 | 0.67 | HTT (0.62) | HTTKDM4ENPC1TSHRSMN1; SMN2 | |
| SCHEMBL14363621 | 0.63 | HTT (0.68) | HTTKDM4ENPC1TSHRRAB9A | |
| SCHEMBL8840880 | 0.63 | PDE4A (0.67) | HTTKDM4ENPC1TSHRRAB9A | |
| SCHEMBL10094724 | 0.62 | HTT (0.66) | HTTKDM4ENPC1TSHRRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-7612069-B2 | Acyl guanidines as beta-secretase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-11-03 | — | — | US | disclosed |
| WO-2007002214-A2 | ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-01-04 | — | — | WO | disclosed |