Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27313233 | 0.81 | ALDH1A1 (0.68) | ALDH1A1TDP1MAPK1L3MBTL1CA12 | |
| SCHEMBL40338 | 0.81 | ALDH1A1 (0.68) | ALDH1A1TDP1MAPK1L3MBTL1CA12 | |
| SCHEMBL18427393 | 0.81 | ALDH1A1 (0.68) | ALDH1A1TDP1MAPK1L3MBTL1CA12 | |
| SCHEMBL705481 | 0.81 | ALDH1A1 (0.56) | ALDH1A1TDP1MAPK1L3MBTL1CA12 | |
| SCHEMBL40436 | 0.78 | ALDH1A1 (0.59) | ALDH1A1TDP1MAPK1L3MBTL1CA12 | |
| SCHEMBL6045413 | 0.78 | ALDH1A1 (0.63) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL25398358 | 0.77 | CA12 (0.55) | ALDH1A1TDP1MAPK1L3MBTL1CA12 | |
| SCHEMBL42485 | 0.77 | ALDH1A1 (0.63) | ALDH1A1TDP1MAPK1L3MBTL1CA12 | |
| E1501 SCHEMBL901210 | 0.77 | ALDH1A1 (1.00) | ALDH1A1TDP1MAPK1L3MBTL1CA12 | |
| E1501 SCHEMBL14031569 | 0.77 | ALDH1A1 (1.00) | ALDH1A1TDP1MAPK1L3MBTL1CA12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1304325-A1 | 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-04-23 | — | — | EP | disclosed |