Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TNF | P01375 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | PER2 | O15055 | 1/20 | 0.33 |
| ▸ | CRY1 | Q16526 | 1/20 | 0.33 |
| ▸ | CRY2 | Q49AN0 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6606729 | 1.00 | NPC1 (0.40) | NPC1TNFRAB9ANOD1MMP2 | |
| SCHEMBL6398102 | 0.92 | CTNNB1 (0.35) | NPC1TNFRAB9ANOD1MMP2 | |
| SCHEMBL6758604 | 0.81 | — | — | |
| SCHEMBL6607704 | 0.80 | CTNNB1 (0.41) | NPC1TNFRAB9ANOD1MMP2 | |
| SCHEMBL6398173 | 0.76 | CTNNB1 (0.38) | NPC1TNFRAB9ANOD1MMP2 | |
| SCHEMBL6607823 | 0.73 | MMP2 (0.39) | MMP2MMP13CYP2A6CA2CA12 | |
| SCHEMBL6607831 | 0.73 | MMP2 (0.39) | MMP2MMP13CYP2A6CA2CA12 | |
| SCHEMBL6406961 | 0.72 | CYP2A6 (0.46) | MMP2MMP13CYP2A6CA2CA12 | |
| SCHEMBL6397626 | 0.71 | CHEK1 (0.35) | MMP2MMP13CYP2A6CA2CA12 | |
| SCHEMBL6397621 | 0.71 | CHEK1 (0.35) | MMP2MMP13CYP2A6CA2CA12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1289980-B1 | BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES | SMITHKLINE BEECHAM PLC (GB) | 2004-11-17 | — | — | EP | disclosed |