Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL16649940 | 0.83 | RAB9A (0.71) | SMN1; SMN2ALDH1A1POLBLMNAKMT2A | |
| SCHEMBL29582002 | 0.83 | KMT2A (0.69) | ALDH1A1POLBLMNAKMT2AMEN1 | |
| SCHEMBL2054569 | 0.80 | KMT2A (0.71) | SMN1; SMN2ALDH1A1POLBLMNAKMT2A | |
| SCHEMBL28408130 | 0.77 | MEN1 (0.71) | SMN1; SMN2ALDH1A1POLBLMNAKMT2A | |
| SCHEMBL29924175 | 0.76 | TDP1 (0.56) | TDP1SMN1; SMN2ALDH1A1POLBLMNA | |
| SCHEMBL28635395 | 0.74 | KMT2A (0.47) | TDP1SMN1; SMN2ALDH1A1POLBLMNA | |
| SCHEMBL6212293 | 0.72 | CYP2C9 (0.88) | TDP1SMN1; SMN2ALDH1A1LMNAKMT2A | |
| Hydrochloric Acid SCHEMBL28861775 | 0.72 | POLB (0.61) | TDP1SMN1; SMN2ALDH1A1POLBKMT2A | |
| Hydrochloric Acid SCHEMBL5494153 | 0.72 | RAB9A (0.75) | SMN1; SMN2ALDH1A1POLBLMNAKMT2A | |
| SCHEMBL3080668 | 0.71 | KMT2A (0.67) | TDP1SMN1; SMN2ALDH1A1KMT2AMEN1 |
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-1534681-A1 | SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2005-06-01 | — | — | EP | disclosed |
| WO-2004002960-A1 | SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2004-01-08 | — | — | WO | disclosed |