Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 3/20 | 0.37 |
| ▸ | NOS1 | P29475 | 3/20 | 0.37 |
| ▸ | NOS2 | P35228 | 3/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | TLR4 | O00206 | 2/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5691374 | 0.96 | CYP1A2 (0.48) | CYP1A2CYP2C9LMNAMAPK1ALDH1A1 | |
| SCHEMBL129995 | 0.96 | — | — | |
| SCHEMBL7900555 | 0.93 | CYP1A2 (0.46) | CYP1A2CYP2C9LMNAMAPK1ALDH1A1 | |
| Water SCHEMBL7795513 | 0.93 | — | — | |
| Hydrogen Sulfide SCHEMBL5679875 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL267680 | 0.93 | — | — | |
| SCHEMBL7900557 | 0.93 | CYP1A2 (0.46) | CYP1A2CYP2C9LMNAMAPK1ALDH1A1 | |
| SCHEMBL10479877 | 0.93 | CYP1A2 (0.46) | CYP1A2CYP2C9LMNAMAPK1ALDH1A1 | |
| Phosphine SCHEMBL21352349 | 0.93 | — | — | |
| SCHEMBL10479873 | 0.93 | CYP1A2 (0.46) | CYP1A2CYP2C9LMNAMAPK1ALDH1A1 |
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-4176141-A | BY ISOMERIZATION HYDROISOMERIZATION, DISPROPORTIONATION, AND SEPARATION, ISOPRENE PRODUCTION | PHILLIPS PETROLEUM COMPANY (US) | 1979-11-27 | — | — | US | disclosed |