Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSV | O60911 | 2/20 | 0.68 |
| ▸ | CTSL | P07711 | 2/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.67 |
| ▸ | HPGD | P15428 | 2/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.67 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.55 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | ELANE | P08246 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.45 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1943022 | 1.00 | CTSV (0.68) | CTSVCTSLALDH1A1KDM4EHPGD | |
| SCHEMBL22024172 | 0.85 | KDM4E (0.60) | CTSVCTSLALDH1A1KDM4EHPGD | |
| SCHEMBL16432009 | 0.83 | CTSV (0.47) | CTSVCTSLALDH1A1KDM4EHPGD | |
| SCHEMBL12047200 | 0.82 | CTSV (0.68) | CTSVCTSLALDH1A1KDM4EHPGD | |
| SCHEMBL2895978 | 0.82 | KDM4E (1.00) | ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A | |
| SCHEMBL5879176 | 0.81 | CTSV (0.63) | CTSVCTSLALDH1A1KDM4EHPGD | |
| SCHEMBL15831877 | 0.80 | CTSV (0.65) | CTSVCTSLALDH1A1KDM4ESRD5A1 | |
| SCHEMBL11555624 | 0.79 | ALDH1A1 (0.74) | CTSVCTSLALDH1A1KDM4EHPGD | |
| SCHEMBL5829231 | 0.78 | CTSV (0.62) | CTSVCTSLALDH1A1KDM4EHPGD | |
| SCHEMBL6532640 | 0.77 | CTSV (0.65) | CTSVCTSLALDH1A1KDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003055866-A1 | QUINAZOLINE AND QUINOLINE DERIVATIVE COMPOUNDS AS INHIBITORS OF PROLYLPEPTIDASE, INDUCERS OF APOPTOSIS AND CANCER TREATMENT AGENTS | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-07-10 | — | — | WO | disclosed |