Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | S100A4 | P26447 | 1/20 | 0.46 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CTSV | O60911 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL11322508 | 0.90 | ALDH1A1 (0.48) | ALDH1A1TDP1CYP3A4ALOX15SMN1; SMN2 | |
| SCHEMBL538232 | 0.80 | SMN1; SMN2 (0.55) | ALDH1A1SMN1; SMN2MAPTHTTTP53 | |
| SCHEMBL27337635 | 0.79 | MAPT (0.43) | ALDH1A1MAPTS100A4EGFRHTT | |
| SCHEMBL5767408 | 0.77 | KEAP1 (0.42) | ALDH1A1MAPTHTTMEN1GAA | |
| SCHEMBL5766222 | 0.77 | ALDH1A1 (0.47) | ALDH1A1MCL1HTTMEN1GAA | |
| SCHEMBL2724263 | 0.77 | HTT (0.45) | ALDH1A1MAPTBCL2L1MCL1EGFR | |
| SCHEMBL1610495 | 0.77 | CYP1A2 (0.49) | ALDH1A1CYP3A4SMN1; SMN2MAPTMCL1 | |
| SCHEMBL1617941 | 0.77 | HSD17B10 (0.41) | ALDH1A1MAPTMCL1HTTMEN1 | |
| SCHEMBL30592903 | 0.77 | CYP1A2 (0.49) | ALDH1A1CYP3A4SMN1; SMN2MAPTMCL1 | |
| Hydrochloric Acid SCHEMBL11866946 | 0.76 | CYP1A2 (0.48) | ALDH1A1CYP3A4SMN1; SMN2MAPTMCL1 |
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-2002000622-A2 | AMINOALCOHOL DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-01-03 | — | — | WO | disclosed |