Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | NAMPT | P43490 | 4/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8195014 | 1.00 | HTT (0.54) | HTTALDH1A1NAMPTCES1KMT2A | |
| SCHEMBL8201130 | 0.81 | TSHR (0.46) | NAMPTKMT2ALMNA | |
| SCHEMBL7966282 | 0.81 | GAA (0.43) | HTTALDH1A1NAMPTKMT2AMEN1 | |
| SCHEMBL7976377 | 0.80 | HTT (0.56) | HTTALDH1A1NAMPTCES1KMT2A | |
| SCHEMBL8195019 | 0.76 | NAMPT (0.58) | HTTALDH1A1NAMPTCES1TDP1 | |
| SCHEMBL7976375 | 0.76 | NAMPT (0.58) | HTTALDH1A1NAMPTCES1TDP1 | |
| SCHEMBL8200238 | 0.75 | PLG (0.40) | ALDH1A1KMT2AL3MBTL1CYP3A4CYP2D6 | |
| SCHEMBL8200233 | 0.74 | CYP17A1 (0.45) | ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL8195511 | 0.72 | HTT (0.55) | HTTALDH1A1NAMPTCES1KMT2A | |
| SCHEMBL8218501 | 0.69 | PLG (0.36) | ALDH1A1NAMPTL3MBTL1POLBTDP1 |
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-2000061561-A1 | CYANOGUANIDINE COMPOUNDS | SHIONOGI BIORESEARCH CORP. (US) | 2000-10-19 | — | — | WO | disclosed |