Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | TERT | O14746 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.37 |
| ▸ | MLNR | O43193 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27976875 | 1.00 | TSHR (0.41) | TSHRCYP1A2CYP19A1CYP2C9CYP2C19 | |
| Bromide SCHEMBL14806853 | 0.99 | TSHR (0.40) | TSHRCYP1A2CYP19A1CYP2C9CYP2C19 | |
| Bromide SCHEMBL14806851 | 0.99 | TSHR (0.40) | TSHRCYP1A2CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL14806865 | 0.99 | TSHR (0.41) | TSHRCYP1A2CYP19A1CYP2C9CYP2C19 | |
| Zinc Ion SCHEMBL27976882 | 0.98 | TSHR (0.41) | TSHRCYP1A2CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL584884 | 0.92 | TSHR (0.47) | TSHRCYP1A2CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL12057431 | 0.90 | TSHR (0.41) | TSHRCYP1A2CYP19A1CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL584953 | 0.89 | CYP1A2 (0.40) | TSHRCYP1A2CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL6843058 | 0.88 | CYP1A2 (0.48) | TSHRCYP1A2CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL12668273 | 0.86 | TSHR (0.41) | TSHRCYP1A2CYP19A1CYP2C9CYP2C19 |
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-103987714-A | Metal porphyrin complex, method for producing same, carbon dioxide immobilization catalyst comprising same, and method for producing cyclic carbonic acid ester. | UNIV OKAYAMA NAT UNIV CORP | 2014-08-13 | — | — | CN | disclosed |