Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | RECQL | P46063 | 1/20 | 0.61 |
| ▸ | IDO1 | P14902 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 3/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | CA7 | P43166 | 3/20 | 0.43 |
| ▸ | CA9 | Q16790 | 3/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.39 |
| ▸ | HKDC1 | Q2TB90 | 2/20 | 0.39 |
| ▸ | EGFR | P00533 | 4/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11820720 | 0.79 | GAA (0.50) | CYP3A4TSHRRECQLIDO1CA1 | |
| SCHEMBL28278780 | 0.78 | CYP3A4 (0.62) | CYP3A4TSHRRECQLIDO1CA12 | |
| SCHEMBL28851825 | 0.77 | CYP3A4 (0.51) | CYP3A4TSHRRECQLIDO1CA12 | |
| SCHEMBL30086871 | 0.76 | CYP3A4 (0.50) | CYP3A4TSHRRECQLIDO1HPGD | |
| Methoxymethane SCHEMBL9765146 | 0.76 | MAOB (0.47) | CYP3A4TSHRRECQLMAOBCA12 | |
| SCHEMBL1259060 | 0.76 | CYP3A4 (0.50) | CYP3A4TSHRRECQLIDO1HPGD | |
| SCHEMBL126869 | 0.76 | TSHR (1.00) | CYP3A4TSHRRECQLIDO1HPGD | |
| SCHEMBL9156403 | 0.76 | NAAA (0.50) | CYP3A4TSHRRECQLIDO1TYR | |
| SCHEMBL27534388 | 0.74 | IDO1 (0.47) | CYP3A4TSHRRECQLIDO1CA1 | |
| SCHEMBL21635491 | 0.74 | CYP3A4 (0.63) | CYP3A4TSHRRECQLIDO1HPGD |
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-3992405-A | ESPECIALLY FOR DYEING POLYACRYLIC FIBERS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-11-16 | — | — | US | disclosed |