Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 12/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | NAMPT | P43490 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 2/20 | 0.46 |
| ▸ | REN | P00797 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7417716 | 0.88 | BACE1 (0.52) | LMNABACE1REN | |
| SCHEMBL8897259 | 0.82 | ALDH1A1 (0.63) | CYP3A4PKMKMT2AALDH1A1LMNA | |
| SCHEMBL7412552 | 0.81 | REN (0.60) | CYP3A4ALDH1A1SMN1; SMN2RENCYP1A2 | |
| SCHEMBL9128031 | 0.78 | TP53 (0.62) | CYP3A4PKMKMT2AALDH1A1LMNA | |
| SCHEMBL9128016 | 0.78 | TP53 (0.62) | CYP3A4PKMKMT2AALDH1A1LMNA | |
| SCHEMBL479925 | 0.77 | CYP3A4 (0.72) | CYP3A4PKMKMT2AALDH1A1LMNA | |
| SCHEMBL7410615 | 0.76 | KMT2A (0.51) | KMT2AALDH1A1HTTSMN1; SMN2REN | |
| SCHEMBL8010171 | 0.75 | CYP3A4 (0.57) | CYP3A4PKMKMT2AALDH1A1LMNA | |
| SCHEMBL8369521 | 0.74 | CYP3A4 (0.52) | CYP3A4PKMKMT2ANAMPTREN | |
| SCHEMBL24190341 | 0.74 | CYP3A4 (0.55) | CYP3A4NAMPTBACE1REN |
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 |
|---|---|---|---|---|---|---|---|
| US-5244910-A | Treating hypertension, congestive heart failure | ABBOTT LABORATORIES (US) | 1993-09-14 | — | — | US | disclosed |