Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 5/20 | 1.00 |
| ▸ | MEN1 | O00255 | 3/20 | 1.00 |
| ▸ | BLM | P54132 | 2/20 | 1.00 |
| ▸ | LMNA | P02545 | 6/20 | 0.81 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.81 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.81 |
| ▸ | L3MBTL1 | Q9Y468 | 7/20 | 0.70 |
| ▸ | ATM | Q13315 | 2/20 | 0.70 |
| ▸ | HPGD | P15428 | 1/20 | 0.70 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.62 |
| ▸ | MAPT | P10636 | 2/20 | 0.62 |
| ▸ | HTT | P42858 | 2/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL14355937 | 0.81 | ALDH1A1 (0.69) | ALDH1A1KMT2AMEN1BLMLMNA | |
| SCHEMBL25386384 | 0.81 | ALDH1A1 (0.68) | ALDH1A1KMT2AMEN1BLMLMNA | |
| SCHEMBL4654049 | 0.81 | TDP1 (0.72) | ALDH1A1KMT2AMEN1BLMLMNA | |
| SCHEMBL30513805 | 0.80 | ALDH1A1 (0.67) | ALDH1A1KMT2AMEN1BLMLMNA | |
| SCHEMBL4011016 | 0.78 | ALDH1A1 (0.65) | ALDH1A1KMT2AMEN1BLMLMNA | |
| SCHEMBL26264767 | 0.78 | TDP1 (0.71) | ALDH1A1KMT2AMEN1BLMLMNA | |
| SCHEMBL11218848 | 0.77 | ALDH1A1 (0.63) | ALDH1A1KMT2AMEN1BLMLMNA | |
| SCHEMBL28896841 | 0.77 | TDP1 (1.00) | ALDH1A1KMT2AMEN1BLMLMNA | |
| SCHEMBL25385549 | 0.76 | MAPK1 (0.71) | ALDH1A1KMT2AMEN1BLMLMNA | |
| SCHEMBL18530291 | 0.76 | HPGD (0.63) | ALDH1A1KMT2AMEN1BLMLMNA |
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-3933805-A | ANTIHYPERTENSIVE, ANTISPASMODIC | BIERSDORF, AKTEINGESELLSCHAFT (DT) | 1976-01-20 | — | — | US | disclosed |