Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of Urea. 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 | 4/20 | 0.76 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.76 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | NT5E | P21589 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Urea SCHEMBL7500665 | 0.98 | TSHR (0.80) | TSHRSMN1; SMN2CYP2D6POLBALDH1A1 | |
| Carbamic Acid SCHEMBL28801958 | 0.93 | TSHR (0.80) | TSHRSMN1; SMN2CYP2D6POLBALDH1A1 | |
| Water SCHEMBL9212693 | 0.90 | TSHR (0.94) | TSHRSMN1; SMN2CYP2D6POLBALDH1A1 | |
| Water SCHEMBL912228 | 0.90 | TSHR (0.94) | TSHRSMN1; SMN2CYP2D6POLBALDH1A1 | |
| Water SCHEMBL3932080 | 0.90 | TSHR (0.94) | TSHRSMN1; SMN2CYP2D6POLBALDH1A1 | |
| Water SCHEMBL338461 | 0.90 | TSHR (0.94) | TSHRSMN1; SMN2CYP2D6POLBALDH1A1 | |
| Water SCHEMBL9064629 | 0.90 | TSHR (0.94) | TSHRSMN1; SMN2CYP2D6POLBALDH1A1 | |
| Water SCHEMBL28988244 | 0.90 | TSHR (0.94) | TSHRSMN1; SMN2CYP2D6POLBALDH1A1 | |
| Acetamide SCHEMBL7845790 | 0.88 | TSHR (0.73) | TSHRSMN1; SMN2CYP2D6POLBALDH1A1 | |
| Methylamine SCHEMBL20569232 | 0.88 | TSHR (0.80) | TSHRSMN1; SMN2CYP2D6POLBALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101448796-B | Salts and crystal modifications thereof | NOVARTIS AG | 2012-09-26 | — | — | CN | disclosed |
| CN-101448796-A | Salts and crystal modifications thereof | NOVARTIS AG (CH) | 2009-06-03 | — | — | CN | disclosed |