Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.93 |
| ▸ | TSHR | P16473 | 2/20 | 0.93 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.93 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.68 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.68 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.68 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.68 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.54 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.54 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.54 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.54 |
| ▸ | ERN1 | O75460 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL18224 | 0.97 | CYP3A4 (1.00) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL11020188 | 0.93 | CYP3A4 (0.93) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL10546483 | 0.93 | CYP3A4 (0.93) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL4340169 | 0.93 | CYP3A4 (0.93) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| Hydrogen Sulfide SCHEMBL27992646 | 0.93 | CYP3A4 (0.93) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL29858952 | 0.93 | CYP3A4 (0.93) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| Iodide SCHEMBL28328087 | 0.93 | CYP3A4 (0.93) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL28015082 | 0.93 | CYP3A4 (0.93) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| Formic Acid SCHEMBL27515766 | 0.83 | CYP3A4 (0.74) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| Bromophene SCHEMBL31323101 | 0.81 | GABRA1 (1.00) | CYP3A4TSHRTDP1GABRA1GABRB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0152630-A2 | Organosiloxane polymers and compositions containing same curable upon exposure to gaseous oxygen | UNION CARBIDE CORPORATION (US) | 1985-08-28 | — | — | EP | disclosed |