Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | F10 | P00742 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL5176437 | 0.97 | CYP1A2 (0.47) | ALDH1A1CYP2C19CYP1A2CYP2D6MAPT | |
| SCHEMBL8265544 | 0.86 | F10 (0.43) | ALDH1A1MAPTF10TSHRF2 | |
| SCHEMBL8264809 | 0.85 | POLB (0.45) | ALDH1A1MAPTF10F2PLAU | |
| SCHEMBL5900991 | 0.83 | ALDH1A1 (0.47) | ALDH1A1CYP2C19CYP1A2CYP2D6MAPT | |
| Acetic Acid SCHEMBL5177298 | 0.82 | F10 (0.45) | ALDH1A1MAPTF10F2PLAU | |
| SCHEMBL5188933 | 0.80 | F10 (0.44) | ALDH1A1MAPTF10TSHRF2 | |
| SCHEMBL8264943 | 0.79 | F10 (0.54) | ALDH1A1MAPTF10F2PLAU | |
| SCHEMBL8266386 | 0.79 | F10 (0.45) | MAPTF10F2PLAUNPC1 | |
| SCHEMBL8267078 | 0.79 | F10 (0.44) | MAPTF10F2PLAU | |
| Hydrochloric Acid SCHEMBL5088330 | 0.79 | F10 (0.45) | ALDH1A1MAPTF10TSHRF2 |
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-2006027135-A1 | 4-AMINOMETHYL BENZAMIDINE DERIVATIVES AND THEIR USE AS FACTOR VIIIA INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-03-16 | — | — | WO | disclosed |