Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 3/20 | 0.64 |
| ▸ | HTT | P42858 | 2/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.63 |
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | USP2 | O75604 | 2/20 | 0.55 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.55 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | YWHAG | P61981 | 1/20 | 0.55 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL8312226 | 0.90 | TDP1 (0.67) | BACE1HTTKDM4ENPC1TDP1 | |
| SCHEMBL8311500 | 0.90 | TDP1 (0.67) | BACE1HTTKDM4ENPC1TDP1 | |
| SCHEMBL8305689 | 0.85 | LMNA (0.69) | BACE1HTTKDM4ETDP1TP53 | |
| SCHEMBL8304644 | 0.85 | LMNA (0.66) | BACE1HTTKDM4ETDP1TP53 | |
| SCHEMBL8304348 | 0.83 | BACE1 (0.68) | BACE1HTTKDM4ETDP1TP53 | |
| SCHEMBL8304646 | 0.80 | KDM4E (0.76) | BACE1HTTKDM4ENPC1TP53 | |
| SCHEMBL8308406 | 0.79 | KDM4E (0.74) | BACE1HTTKDM4ENPC1TP53 | |
| SCHEMBL8308301 | 0.79 | KDM4E (0.74) | BACE1HTTKDM4ETDP1TP53 | |
| SCHEMBL8308894 | 0.78 | KDM4E (0.70) | BACE1HTTKDM4ETP53KMT2A | |
| SCHEMBL8308219 | 0.78 | KDM4E (0.72) | BACE1HTTKDM4ETP53KMT2A |
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-2004078731-A1 | QUINOLINE-CARBOXYLIC ACIDS AND THE DERIVATIVES THEREOF, A FOCUSED LIBRARY | 'CHEMICAL DIVERSITY RESEARCH INSTITUTE', LTD. (RU) | 2004-09-16 | — | — | WO | disclosed |