Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 9/20 | 0.54 |
| ▸ | ITGA4 | P13612 | 9/20 | 0.54 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.45 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL14096909 | 0.87 | ITGB1 (0.48) | ITGB1ITGA4CYP17A1MAPTALDH1A1 | |
| SCHEMBL8344869 | 0.76 | MAPT (0.39) | ITGB1ITGA4LMNAMEN1KMT2A | |
| SCHEMBL14379115 | 0.74 | CYP17A1 (0.68) | LMNACYP17A1ALDH1A1RAB9APTGDR2 | |
| SCHEMBL178373 | 0.74 | CYP17A1 (0.54) | CYP17A1MAPTALDH1A1RAB9ATP53 | |
| SCHEMBL3790541 | 0.71 | CYP17A1 (0.50) | CYP17A1 | |
| SCHEMBL5069258 | 0.70 | ITGB1 (1.00) | ITGB1ITGA4 | |
| SCHEMBL245094 | 0.70 | CYP17A1 (0.61) | MEN1KMT2ACYP17A1PTGDR2 | |
| SCHEMBL20865536 | 0.69 | CYP17A1 (0.68) | CYP17A1 | |
| SCHEMBL31337626 | 0.69 | CYP17A1 (0.63) | CYP17A1PTGDR2 | |
| SCHEMBL243856 | 0.69 | CYP17A1 (0.59) | CYP17A1PTGDR2 |
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-2004014859-A2 | PROCESS FOR PREPARING QUINOLIN ANTIBIOTIC INTERMEDIATES | TANABE SEIYAKU CO., LTD. (JP) | 2004-02-19 | — | — | WO | disclosed |