Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11045534 | 0.80 | GABRA1 (0.44) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL18243263 | 0.78 | CYP3A4 (0.39) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL18378257 | 0.74 | CYP3A4 (0.36) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL4091711 | 0.73 | TDP1 (0.45) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL10830794 | 0.72 | ALDH1A1 (0.38) | AHR | |
| SCHEMBL23835425 | 0.69 | MAPT (0.33) | — | |
| SCHEMBL27919073 | 0.69 | GABRA1 (0.56) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL29920998 | 0.69 | MAPT (0.33) | — | |
| SCHEMBL18093834 | 0.69 | GABRA1 (0.39) | GABRA1GABRB1 | |
| SCHEMBL31668166 | 0.69 | GABRA1 (0.39) | GABRA1GABRB1 |
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-4633026-A | DEHYDROHALOGENATION OF RING-HALOGENATED ALPHA- OR BETA-BROMOETHYL BENZENES WITH STRONG BASE, POLYOXYETHYLENE GLYCOL CATALYST, AMINE POLYMERIZATION INHIBITOR | ETHYL CORPORATION (US) | 1986-12-30 | — | — | US | disclosed |