Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | FABP3 | P05413 | 1/20 | 0.34 |
| ▸ | FABP4 | P15090 | 1/20 | 0.34 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.34 |
| ▸ | ACP1 | P24666 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 5/20 | 0.32 |
| ▸ | CA1 | P00915 | 4/20 | 0.32 |
| ▸ | CA9 | Q16790 | 4/20 | 0.32 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL3140914 | 0.97 | CYP3A4 (0.43) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL4647337 | 0.83 | ING2 (0.38) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL11522707 | 0.82 | NMT1 (0.41) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL27998700 | 0.78 | CA1 (0.39) | FABP3FABP4FABP5ACP1CA2 | |
| SCHEMBL11871290 | 0.77 | FABP3 (0.35) | FABP3FABP4FABP5CA2CA1 | |
| Hydrochloric Acid SCHEMBL28213767 | 0.76 | CA1 (0.38) | FABP3FABP4FABP5ACP1CA2 | |
| SCHEMBL27780672 | 0.74 | CA2 (0.44) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL11524504 | 0.73 | NMT1 (0.41) | CYP3A4TSHRFABP3FABP4FABP5 | |
| SCHEMBL22396636 | 0.73 | FABP4 (0.42) | TSHRTDP1FABP3FABP4FABP5 | |
| SCHEMBL3135187 | 0.72 | CA2 (0.41) | TSHRTDP1CA2CA1CA9 |
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-5118739-A | Flame retardant macromolecular materials containing brominated aromatic sulfonic acid salts | ETHYL CORPORATION (US) | 1992-06-02 | — | — | US | claimed |