Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.44 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.44 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.44 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.44 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.44 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | MLYCD | O95822 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3441915 | 0.89 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19TSHRNPSR1 | |
| SCHEMBL2552734 | 0.80 | TSHR (0.74) | CYP1A2CYP2C9CYP2C19TSHRNPSR1 | |
| SCHEMBL29785065 | 0.80 | TSHR (0.74) | CYP1A2CYP2C9CYP2C19TSHRNPSR1 | |
| SCHEMBL6555240 | 0.78 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19TSHRNPSR1 | |
| SCHEMBL1238843 | 0.78 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19TSHRNPSR1 | |
| SCHEMBL3539902 | 0.78 | PDK1 (0.40) | CYP1A2CYP2C9CYP2C19TSHRPDK1 | |
| SCHEMBL6811200 | 0.78 | MAPT (0.54) | CYP1A2CYP2C9CYP2C19TSHRNPSR1 | |
| SCHEMBL15903926 | 0.77 | ABCC9 (0.58) | CYP1A2CYP2C9CYP2C19TSHRNPSR1 | |
| SCHEMBL29440834 | 0.77 | ABCC9 (0.58) | CYP1A2CYP2C9CYP2C19TSHRNPSR1 | |
| SCHEMBL3442075 | 0.77 | MEN1 (0.40) | CYP1A2CYP2C9CYP2C19TSHRPDK1 |
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-104151292-A | Indole derivative or pharmaceutically acceptable salt thereof | KISSEI PHARMACEUTICAL | 2014-11-19 | — | — | CN | disclosed |