Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | TLR4 | O00206 | 1/20 | 0.44 |
| ▸ | TLR2 | O60603 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 3/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL4946688 | 0.85 | SMN1; SMN2 (0.50) | NPC1RAB9ASMN1; SMN2KMT2ATLR4 | |
| SCHEMBL20876320 | 0.77 | NPC1 (0.54) | NPC1RAB9ASMN1; SMN2KMT2ATLR4 | |
| SCHEMBL7976948 | 0.77 | NPC1 (0.54) | NPC1RAB9ASMN1; SMN2KMT2ATLR4 | |
| SCHEMBL4947178 | 0.74 | SMN1; SMN2 (0.51) | NPC1RAB9ASMN1; SMN2KMT2ATLR4 | |
| SCHEMBL2420234 | 0.74 | NPC1 (0.53) | NPC1RAB9ASMN1; SMN2KMT2ATLR4 | |
| SCHEMBL11145777 | 0.72 | HTR1A (0.51) | NPC1RAB9ASMN1; SMN2KMT2AHTR1A | |
| SCHEMBL3099586 | 0.71 | NPC1 (0.49) | NPC1RAB9ASMN1; SMN2KMT2ATLR4 | |
| SCHEMBL11746120 | 0.70 | CYP19A1 (0.48) | NPC1RAB9ASMN1; SMN2KMT2ATLR4 | |
| SCHEMBL3873841 | 0.70 | CYP19A1 (0.51) | NPC1RAB9ASMN1; SMN2KMT2ATLR4 | |
| SCHEMBL30449234 | 0.70 | CYP19A1 (0.51) | NPC1RAB9ASMN1; SMN2KMT2ATLR4 |
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-1326856-B1 | PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-BETA) INHIBITING ACTIVITY | BAYER HEALTHCARE AG (DE) | 2007-12-19 | — | — | EP | disclosed |