Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | PNMT | P11086 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | PDE2A | O00408 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL14373062 | 0.82 | CYP3A4 (0.41) | CYP3A4CYP1A2CYP2D6NFKB1PNMT | |
| SCHEMBL11240113 | 0.79 | CYP3A4 (0.42) | CYP3A4CYP1A2CYP2D6NFKB1PNMT | |
| SCHEMBL8441650 | 0.78 | PDE2A (0.46) | CYP3A4CYP1A2CYP2D6NFKB1PNMT | |
| SCHEMBL11501928 | 0.78 | CYP1A2 (0.65) | CYP3A4CYP1A2CYP2D6NFKB1PNMT | |
| SCHEMBL16958286 | 0.78 | CYP3A4 (0.39) | CYP3A4CYP1A2CYP2D6NFKB1PNMT | |
| SCHEMBL450702 | 0.78 | CYP3A4 (0.65) | CYP3A4CYP1A2CYP2D6NFKB1PNMT | |
| SCHEMBL17553337 | 0.78 | CYP3A4 (0.39) | CYP3A4CYP1A2CYP2D6NFKB1PNMT | |
| SCHEMBL8440315 | 0.78 | P2RX7 (0.46) | CYP3A4CYP1A2CYP2D6NFKB1PNMT | |
| SCHEMBL11819201 | 0.75 | CYP3A4 (0.48) | CYP3A4CYP1A2CYP2D6NFKB1PNMT | |
| SCHEMBL28691710 | 0.71 | CYP3A4 (0.36) | CYP3A4CYP1A2CYP2D6NFKB1PNMT |
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-4156602-A | 1-(1-Chloropropyl)-2,4,6-triisopropylbenzene and its use to control weeds | PPG INDUSTRIES, INC. (US) | 1979-05-29 | — | — | US | disclosed |