Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | ERN1 | O75460 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | APAF1 | O14727 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Perchlorate SCHEMBL5271068 | 0.80 | ECE2 (0.57) | ALDH1A1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8831065 | 0.75 | MEN1 (0.52) | ALDH1A1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL31038177 | 0.75 | MEN1 (0.52) | ALDH1A1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27831032 | 0.70 | NPC1 (0.45) | ALDH1A1TP53CYP1A2CYP3A4CYP2D6 | |
| Perchlorate SCHEMBL4878048 | 0.70 | ERN1 (0.44) | ALDH1A1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL12786490 | 0.69 | TP53 (1.00) | ALDH1A1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5604856 | 0.69 | ERN1 (0.63) | ALDH1A1CYP2C9KMT2ANPC1RAB9A | |
| SCHEMBL5604854 | 0.69 | ERN1 (0.63) | ALDH1A1CYP2C9KMT2ANPC1RAB9A | |
| SCHEMBL31295677 | 0.68 | KDM4E (0.59) | ALDH1A1CYP1A2CYP3A4CYP2C19KMT2A | |
| SCHEMBL3275638 | 0.67 | RAB9A (0.50) | ALDH1A1TP53CYP1A2CYP3A4CYP2D6 |
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-1841428-A1 | NOVEL QUINOLINIUM SALTS AND DERIVATIVES | Immusol Incorporated (US) | 2007-10-10 | — | — | EP | disclosed |
| WO-2006078754-A1 | NOVEL QUINOLINIUM SALTS AND DERIVATIVES | IMMUSOL INCORPORATED (US) | 2006-07-27 | — | — | WO | disclosed |