Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 2/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | FSCN1 | Q16658 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9835917 | 0.81 | SLC6A4 (0.41) | CYP3A4CYP2C9SLC6A3SLC6A4POLB | |
| SCHEMBL28318484 | 0.79 | CYP3A4 (0.39) | CYP3A4CYP2C9SLC6A3SLC6A4MEN1 | |
| Sulfuric Acid SCHEMBL9216691 | 0.78 | MAP3K14 (0.36) | CYP3A4CYP2C9SLC6A3SLC6A4POLB | |
| SCHEMBL9835436 | 0.78 | SLC6A4 (0.43) | CYP3A4CYP2C9SLC6A3SLC6A4USP2 | |
| SCHEMBL10885411 | 0.76 | SLC6A4 (0.44) | CYP3A4CYP2C9SLC6A3SLC6A4MEN1 | |
| SCHEMBL8804298 | 0.75 | CYP3A4 (0.43) | CYP3A4CYP2C9SLC6A3SLC6A4USP2 | |
| SCHEMBL9367847 | 0.75 | CYP3A4 (0.39) | CYP3A4CYP2C9SLC6A3SLC6A4MEN1 | |
| SCHEMBL9662313 | 0.74 | CYP3A4 (0.37) | CYP3A4CYP2C9SLC6A3SLC6A4MAP3K14 | |
| SCHEMBL9662300 | 0.74 | CYP3A4 (0.39) | CYP3A4CYP2C9SLC6A3SLC6A4MEN1 | |
| Sulfuric Acid SCHEMBL9212918 | 0.73 | MAP3K14 (0.33) | CYP3A4CYP2C9SLC6A3SLC6A4MAP3K14 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0254086-B1 | HETEROCYCLIC COMPOUNDS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-04-08 | — | — | EP | disclosed |
| EP-0243983-B1 | HETEROCYCLIC COMPOUNDS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-03-04 | — | — | EP | disclosed |
| EP-0256266-A2 | Heterocyclic compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-02-24 | — | — | EP | disclosed |
| EP-0254086-A2 | Heterocyclic compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-01-27 | — | — | EP | disclosed |
| EP-0243983-A2 | Heterocyclic compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-11-04 | — | — | EP | disclosed |
| US-4636247-A | TETRAHYDROFURANYLMETHYLIMIDAZOLES AND -TRIAZOLES, FUNGICIDES, PLANT GROWTH REGULATORS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-01-13 | — | — | US | disclosed |
| EP-0121979-A2 | Azolylmethyl tetrahydrofuran derivatives as plant growth regulators and fungicides | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-10-17 | — | — | EP | disclosed |