Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.61 |
| ▸ | NPC1 | O15118 | 3/20 | 0.61 |
| ▸ | RAB9A | P51151 | 3/20 | 0.61 |
| ▸ | HPGD | P15428 | 3/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | ADH1B | P00325 | 1/20 | 0.55 |
| ▸ | ADH1C | P00326 | 1/20 | 0.55 |
| ▸ | ADH1A | P07327 | 1/20 | 0.55 |
| ▸ | ADH7 | P40394 | 1/20 | 0.55 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.47 |
| ▸ | MMP1 | P03956 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 1/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.47 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28831662 | 1.00 | ALDH1A1 (0.61) | ALDH1A1NPC1RAB9AHPGDMAPT | |
| SCHEMBL15899385 | 0.85 | ALDH1A1 (0.62) | ALDH1A1NPC1RAB9AHPGDMAPT | |
| SCHEMBL15899383 | 0.85 | ALDH1A1 (0.62) | ALDH1A1NPC1RAB9AHPGDMAPT | |
| SCHEMBL14313378 | 0.83 | ALDH1A1 (0.79) | ALDH1A1NPC1RAB9AHPGDMAPT | |
| SCHEMBL27375439 | 0.83 | ALDH1A1 (0.61) | ALDH1A1NPC1RAB9AHPGDMAPT | |
| SCHEMBL30513118 | 0.83 | ALDH1A1 (0.79) | ALDH1A1NPC1RAB9AHPGDMAPT | |
| SCHEMBL10818920 | 0.83 | ALDH1A1 (0.46) | ALDH1A1NPC1RAB9AHPGDMAPT | |
| SCHEMBL28365612 | 0.83 | ALDH1A1 (0.79) | ALDH1A1NPC1RAB9AHPGDMAPT | |
| SCHEMBL6440534 | 0.81 | ALDH1A1 (0.62) | ALDH1A1NPC1RAB9AHPGDSMN1; SMN2 | |
| SCHEMBL8713797 | 0.80 | ADH1B (0.65) | ALDH1A1NPC1RAB9AHPGDMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3638648-A2 | STREAMLINED SYNTHESES OF FLUOROQUINOLONES | Virginia Commonwealth University (US) | 2020-04-22 | — | — | EP | disclosed |
| WO-2018231747-A2 | STREAMLINED SYNTHESES OF FLUOROQUINOLONES | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2018-12-20 | — | — | WO | disclosed |