Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.73 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.73 |
| ▸ | RECQL | P46063 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | XBP1 | P17861 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.49 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.49 |
| ▸ | FAAH | O00519 | 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 | |
|---|---|---|---|---|
| Trimethylammonium SCHEMBL7978797 | 0.94 | CYP17A1 (0.66) | CYP17A1CYP19A1RECQLALDH1A1SMN1; SMN2 | |
| SCHEMBL31613300 | 0.93 | CYP17A1 (0.63) | CYP17A1CYP19A1RECQLALDH1A1SMN1; SMN2 | |
| SCHEMBL31538453 | 0.91 | CYP17A1 (0.66) | CYP17A1CYP19A1RECQLALDH1A1SMN1; SMN2 | |
| SCHEMBL18007743 | 0.89 | CYP17A1 (0.59) | CYP17A1CYP19A1RECQLALDH1A1SMN1; SMN2 | |
| SCHEMBL20620855 | 0.87 | CYP17A1 (0.60) | CYP17A1CYP19A1RECQLALDH1A1SMN1; SMN2 | |
| SCHEMBL13148547 | 0.87 | CYP17A1 (0.61) | CYP17A1CYP19A1RECQLALDH1A1SMN1; SMN2 | |
| SCHEMBL22070864 | 0.86 | CYP17A1 (0.56) | CYP17A1CYP19A1RECQLALDH1A1SMN1; SMN2 | |
| SCHEMBL18007735 | 0.86 | CYP17A1 (0.56) | CYP17A1CYP19A1RECQLALDH1A1SMN1; SMN2 | |
| SCHEMBL22070598 | 0.85 | CYP17A1 (0.55) | CYP17A1CYP19A1RECQLALDH1A1SMN1; SMN2 | |
| SCHEMBL18007750 | 0.85 | CYP17A1 (0.55) | CYP17A1CYP19A1RECQLALDH1A1SMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115038697-A | Therapeutic agents and methods of treatment | 佛罗里达大学研究基金公司 | 2022-09-09 | — | — | CN | disclosed |
| EP-0999474-B1 | Photoresist resin composition and method for forming a pattern | DAICEL CHEM (JP) | 2011-11-23 | — | — | EP | disclosed |