Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKLR | P30613 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | SERPINE1 | P05121 | 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 | |
|---|---|---|---|---|
| SCHEMBL6950459 | 0.79 | KMT2A (0.48) | PKLRALDH1A1VCAM1RXFP1GAA | |
| SCHEMBL30555219 | 0.77 | PKLR (0.55) | PKLRALDH1A1MAPTGAAKDM4E | |
| SCHEMBL6954051 | 0.77 | PKLR (0.55) | PKLRALDH1A1MAPTGAAKDM4E | |
| SCHEMBL8307133 | 0.77 | CASP3 (0.63) | PKLRALDH1A1LMNAMAPTVCAM1 | |
| SCHEMBL6946269 | 0.76 | PKLR (0.44) | PKLRALDH1A1LMNAMAPTVCAM1 | |
| SCHEMBL8307006 | 0.74 | PKLR (0.42) | PKLRALDH1A1MAPTSMN1; SMN2GAA | |
| SCHEMBL6951265 | 0.73 | ALDH1A1 (0.47) | ALDH1A1LMNAMAPTRXFP1GAA | |
| SCHEMBL6949029 | 0.73 | PKLR (0.42) | PKLRALDH1A1LMNASMN1; SMN2HTT | |
| SCHEMBL3468480 | 0.69 | GAA (0.49) | ALDH1A1LMNAMAPTSMN1; SMN2HTT | |
| SCHEMBL6954598 | 0.69 | GAA (0.63) | ALDH1A1GAAKDM4E |
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 |