Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 8/20 | 1.00 |
| ▸ | NPC1 | O15118 | 7/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 3/20 | 1.00 |
| ▸ | MEN1 | O00255 | 2/20 | 1.00 |
| ▸ | POLB | P06746 | 1/20 | 1.00 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | MAPT | P10636 | 4/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | GFER | P55789 | 1/20 | 0.54 |
| ▸ | VCP | P55072 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | METAP2 | P50579 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL30056033 | 0.94 | RAB9A (0.89) | RAB9ANPC1KMT2AMEN1POLB | |
| SCHEMBL1250 | 0.84 | NPC1 (0.71) | RAB9ANPC1KMT2AMEN1POLB | |
| SCHEMBL9263110 | 0.83 | NPC1 (0.70) | RAB9ANPC1KMT2AMEN1POLB | |
| SCHEMBL9820160 | 0.82 | RAB9A (0.69) | RAB9ANPC1KMT2AMEN1POLB | |
| SCHEMBL3857350 | 0.80 | KMT2A (0.66) | RAB9ANPC1KMT2AMEN1POLB | |
| SCHEMBL28302925 | 0.80 | MEN1 (0.66) | RAB9ANPC1KMT2AMEN1POLB | |
| SCHEMBL6241316 | 0.79 | NPC1 (0.65) | RAB9ANPC1KMT2AMEN1POLB | |
| SCHEMBL22462232 | 0.79 | RAB9A (0.65) | RAB9ANPC1KMT2AMEN1POLB | |
| SCHEMBL13847795 | 0.78 | NPC1 (0.64) | RAB9ANPC1KMT2AMEN1POLB | |
| SCHEMBL14336956 | 0.78 | RAB9A (0.63) | RAB9ANPC1KMT2AMEN1POLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110066254-A | A kind of isothiazole -3- ketone compound and preparation method thereof | 温州大学 | 2019-07-30 | — | — | CN | disclosed |
| CN-110054597-A | A kind of thiazolidin-4-one derivatives and preparation method thereof synthesized under the conditions of non-metal catalyst | 温州大学 | 2019-07-26 | — | — | CN | disclosed |
| CN-109796423-A | The method of 1,3- thiazine -4- ketone is synthesized under no metal catalyzed conditions | 温州大学 | 2019-05-24 | — | — | CN | disclosed |