Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.33 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.33 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.33 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10834211 | 0.96 | CYP2C19 (0.59) | CYP2C19ALDH1A1TDP1CA2ACHE | |
| SCHEMBL36990 | 0.96 | CYP2C19 (0.59) | CYP2C19ALDH1A1TDP1CA2ACHE | |
| SCHEMBL29243915 | 0.93 | CYP2C19 (0.56) | CYP2C19ALDH1A1TDP1CA2ACHE | |
| Methane SCHEMBL9155165 | 0.93 | CYP2C19 (0.56) | CYP2C19ALDH1A1TDP1CA2ACHE | |
| SCHEMBL8720706 | 0.93 | CYP2C19 (0.56) | CYP2C19ALDH1A1TDP1CA2ACHE | |
| Hydrogen Peroxide SCHEMBL16799548 | 0.93 | CYP2C19 (0.56) | CYP2C19ALDH1A1TDP1CA2ACHE | |
| Fluoride SCHEMBL5203462 | 0.93 | CYP2C19 (0.56) | CYP2C19ALDH1A1TDP1CA2ACHE | |
| SCHEMBL9659709 | 0.93 | CYP2C19 (0.56) | CYP2C19ALDH1A1TDP1CA2ACHE | |
| Water SCHEMBL3865217 | 0.93 | CYP2C19 (0.56) | CYP2C19ALDH1A1TDP1CA2ACHE | |
| Formaldehyde SCHEMBL11857202 | 0.90 | CYP2C19 (0.54) | CYP2C19ALDH1A1TDP1CA2ACHE |
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-6224864-B1 | Antibiotic 10381A, and process for the preparation of anitbiotics 10381B | PHARMACIA & UPJOHN COMPANY | 2001-05-01 | — | — | US | disclosed |