Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.30 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19597360 | 0.93 | TLR4 (0.38) | TLR4CYP1A2CYP2C9ADRA2AADRA2B | |
| SCHEMBL11213891 | 0.93 | TLR4 (0.40) | TLR4CYP1A2CYP2C9MAPTALDH1A1 | |
| SCHEMBL11213889 | 0.93 | TLR4 (0.40) | TLR4CYP1A2CYP2C9MAPTALDH1A1 | |
| SCHEMBL30846921 | 0.91 | TLR4 (0.39) | TLR4 | |
| SCHEMBL30846922 | 0.91 | TLR4 (0.39) | TLR4 | |
| SCHEMBL11029306 | 0.90 | CYP1A2 (0.42) | TLR4CYP1A2CYP2C9MAPTALDH1A1 | |
| SCHEMBL11032188 | 0.90 | CYP1A2 (0.42) | TLR4CYP1A2CYP2C9MAPTALDH1A1 | |
| SCHEMBL19722643 | 0.90 | CYP1A2 (0.42) | TLR4CYP1A2CYP2C9MAPTALDH1A1 | |
| SCHEMBL10449512 | 0.89 | TLR4 (0.41) | TLR4CYP1A2CYP2C9ALOX5OPRM1 | |
| SCHEMBL10449511 | 0.89 | TLR4 (0.41) | TLR4CYP1A2CYP2C9ALOX5OPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4432885-A | Decalins | HOFFMANN-LA ROCHE INC. (US) | 1984-02-21 | — | — | US | disclosed |