Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9177303 | 0.94 | ALDH1A1 (0.44) | ALDH1A1KDM4ETDP1L3MBTL1CYP3A4 | |
| SCHEMBL8567480 | 0.88 | ALDH1A1 (0.47) | ALDH1A1KDM4ETDP1L3MBTL1CYP3A4 | |
| SCHEMBL8567477 | 0.88 | ALDH1A1 (0.47) | ALDH1A1KDM4ETDP1L3MBTL1CYP3A4 | |
| SCHEMBL11046676 | 0.83 | ALDH1A1 (0.43) | ALDH1A1KDM4ETDP1L3MBTL1CYP3A4 | |
| Butamifos SCHEMBL54426 | 0.82 | ALDH1A1 (0.43) | ALDH1A1KDM4ETDP1L3MBTL1CYP3A4 | |
| Butamifos SCHEMBL29889547 | 0.82 | ALDH1A1 (0.43) | ALDH1A1KDM4ETDP1L3MBTL1CYP3A4 | |
| SCHEMBL7775360 | 0.76 | TSHR (0.56) | ALDH1A1KDM4EL3MBTL1CYP3A4TSHR | |
| Butamifos SCHEMBL14843942 | 0.76 | ALDH1A1 (0.40) | ALDH1A1KDM4ETDP1L3MBTL1CYP3A4 | |
| SCHEMBL10507965 | 0.76 | ALDH1A1 (0.42) | ALDH1A1KDM4ETDP1L3MBTL1CYP3A4 | |
| SCHEMBL4408559 | 0.75 | ALDH1A1 (0.38) | ALDH1A1KDM4ETDP1L3MBTL1CYP3A4 |
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-0548593-B1 | Tetrahydrofuran derivative and herbicide containing the same as effective ingredient | MITSUBISHI CHEM CORP (JP) | 1998-04-22 | — | — | EP | disclosed |