Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 6/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | RECQL | P46063 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3431056 | 0.81 | IDO1 (0.40) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL22700102 | 0.79 | KDM4E (0.52) | MAPTCYP3A4NPC1RAB9ARECQL | |
| SCHEMBL21915817 | 0.75 | MAPT (0.50) | NPSR1MAPTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL259701 | 0.73 | MAPT (0.65) | NPSR1MAPTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL18433298 | 0.71 | MAPT (0.54) | NPSR1MAPTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL31542120 | 0.71 | RAB9A (0.52) | NPSR1MAPTCYP1A2CYP3A4CYP2C9 | |
| Ethylbenzene SCHEMBL11213271 | 0.70 | NPSR1 (0.53) | NPSR1MAPTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL3910828 | 0.70 | MAPT (0.69) | NPSR1MAPTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL20323613 | 0.70 | MAPT (0.52) | NPSR1MAPTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL14176615 | 0.69 | MAOA (0.50) | MAPTCYP1A2CYP3A4CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104892545-B | Method for synthesizing poly-substituted 2-aryl benzothiazoles by utilizing thiourea as sulphur source | 南京理工大学 | 2017-02-01 | — | — | CN | disclosed |