Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10399109 | 1.00 | CES2 (0.47) | CES2ALDH1A1POLBNPSR1MAPT | |
| SCHEMBL10399108 | 1.00 | CES2 (0.47) | CES2ALDH1A1POLBNPSR1MAPT | |
| SCHEMBL3938552 | 0.85 | MAPT (0.45) | ALDH1A1POLBNPSR1MAPTMAOB | |
| SCHEMBL3938554 | 0.85 | MAPT (0.45) | ALDH1A1POLBNPSR1MAPTMAOB | |
| SCHEMBL3269421 | 0.84 | NPSR1 (0.52) | CES2ALDH1A1POLBNPSR1MAPT | |
| SCHEMBL24951715 | 0.83 | ALDH1A1 (0.59) | CES2ALDH1A1POLBNPSR1MAPT | |
| SCHEMBL10397671 | 0.83 | LMNA (0.49) | CES2ALDH1A1POLBNPSR1MAPT | |
| SCHEMBL10397670 | 0.83 | LMNA (0.49) | CES2ALDH1A1POLBNPSR1MAPT | |
| SCHEMBL28630576 | 0.83 | ALDH1A1 (0.59) | CES2ALDH1A1POLBNPSR1MAPT | |
| SCHEMBL10398662 | 0.81 | PTAFR (0.45) | ALDH1A1MAPTMAOBHTTGAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4975438-A | ANTICOAGULANT | HOFFMANN-LA ROCHE INC. (US) | 1990-12-04 | — | — | US | disclosed |
| US-4788206-A | CARDIOVASCULAR DISORDERS, PLATELETS | HOFFMANN-LA ROCHE INC. (US) | 1988-11-29 | — | — | US | disclosed |