Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 2/20 | 0.35 |
| ▸ | CES1 | P23141 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19051594 | 0.72 | ALDH1A1 (0.39) | ALDH1A1HTTNPSR1LMNAPKM | |
| SCHEMBL19265558 | 0.71 | ALDH1A1 (0.42) | ALDH1A1HTTNPSR1LMNAPKM | |
| SCHEMBL26000700 | 0.71 | ALDH1A1 (0.38) | ALDH1A1HTTNPSR1LMNAPKM | |
| SCHEMBL21514076 | 0.71 | ALDH1A1 (0.38) | ALDH1A1HTTNPSR1LMNAPKM | |
| Bicarbonate SCHEMBL9519795 | 0.69 | ALDH1A1 (0.48) | ALDH1A1HTTNPSR1LMNAPKM | |
| SCHEMBL15292178 | 0.69 | ALDH1A1 (0.36) | ALDH1A1HTTNPSR1LMNAPKM | |
| SCHEMBL24285671 | 0.69 | GABRA1 (0.38) | ALDH1A1HTTNPSR1LMNAPKM | |
| SCHEMBL22765129 | 0.68 | CES2 (0.54) | ALDH1A1HTTNPSR1LMNAPKM | |
| SCHEMBL25996320 | 0.68 | ALDH1A1 (0.35) | ALDH1A1HTTNPSR1LMNAPKM | |
| SCHEMBL24723505 | 0.67 | ALDH1A1 (0.34) | ALDH1A1HTTNPSR1LMNAPKM |
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 |
|---|---|---|---|---|---|---|---|
| EP-3251679-A1 | NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY AGAINST SODIUM-DEPENDANT GLUCOSE TRANSPORTER | Mitsubishi Tanabe Pharma Corporation (JP) | 2017-12-06 | — | — | EP | disclosed |