Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | LATS1 | O95835 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.32 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL492180 | 0.94 | ALDH1A1 (0.39) | ALDH1A1POLBNPSR1GAAHTT | |
| SCHEMBL2077718 | 0.74 | CYP2C19 (0.55) | ALDH1A1POLBNPSR1GAAHTT | |
| SCHEMBL18922765 | 0.72 | NPSR1 (0.50) | ALDH1A1POLBNPSR1GAAHTT | |
| SCHEMBL12341053 | 0.70 | ALDH1A1 (0.45) | ALDH1A1POLBGAAHTTTDP1 | |
| SCHEMBL2077713 | 0.69 | CYP2C19 (0.59) | ALDH1A1POLBNPSR1GAAHTT | |
| SCHEMBL15953139 | 0.68 | HTT (0.49) | ALDH1A1POLBGAAHTTKMT2A | |
| SCHEMBL15649573 | 0.67 | ALDH1A1 (0.43) | ALDH1A1NPSR1GAAHTTTDP1 | |
| SCHEMBL318437 | 0.67 | ALDH1A1 (0.40) | ALDH1A1POLBGAAHTTKMT2A | |
| SCHEMBL7319969 | 0.67 | ALDH1A1 (0.36) | ALDH1A1POLBGAAMAPTCYP1A2 | |
| SCHEMBL4898581 | 0.67 | ALDH1A1 (0.36) | ALDH1A1GAAHTTLATS1KMT2A |
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-8106066-B2 | Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof | MEMORY PHARMACEUTICALS CORPORATION (US) | 2012-01-31 | — | — | US | disclosed |