Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 8/20 | 0.63 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10810560 | 1.00 | TLR4 (0.63) | TLR4NPC1ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL10836412 | 1.00 | TLR4 (0.63) | TLR4NPC1ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL5684616 | 0.84 | TLR4 (0.49) | TLR4NPC1ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL8216896 | 0.79 | TLR4 (0.50) | TLR4ALDH1A1HPGDCYP2C9LMNA | |
| SCHEMBL8735042 | 0.76 | TLR4 (0.47) | TLR4CYP2C9LMNAMAPTKMT2A | |
| SCHEMBL8735040 | 0.76 | TLR4 (0.47) | TLR4CYP2C9LMNAMAPTKMT2A | |
| SCHEMBL10554006 | 0.75 | TLR4 (0.58) | TLR4ALDH1A1CYP2C9LMNAMAPT | |
| SCHEMBL10553997 | 0.75 | TLR4 (0.58) | TLR4ALDH1A1CYP2C9LMNAMAPT | |
| SCHEMBL10553989 | 0.75 | TLR4 (0.58) | TLR4ALDH1A1CYP2C9LMNAMAPT | |
| SCHEMBL11065128 | 0.74 | TLR4 (0.54) | TLR4MAPTKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0127816-B1 | TRANS-DECALINCARBONITRILES | MERCK PATENT GmbH (DE) | 1987-08-19 | — | — | EP | disclosed |
| US-4600528-A | Decalin-carbonitriles | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1986-07-15 | — | — | US | disclosed |