Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 7/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 7/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 7/20 | 0.36 |
| ▸ | PLK1 | P53350 | 1/20 | 0.36 |
| ▸ | TERT | O14746 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | BRD4 | O60885 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KMO | O15229 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10203483 | 0.84 | TSHR (0.41) | TSHRHTTGABRG2GABRB3GABRA5 | |
| SCHEMBL13960943 | 0.84 | GABRG2 (0.32) | TSHRHTTGABRG2GABRB3GABRA5 | |
| SCHEMBL13341019 | 0.83 | CRHR1 (0.36) | TSHRHTTGABRG2GABRB3GABRA5 | |
| SCHEMBL46323 | 0.80 | GABRA5 (0.46) | TSHRHTTGABRG2GABRB3GABRA5 | |
| SCHEMBL13367734 | 0.76 | CCNC (0.35) | TSHRALDH1A1POLB | |
| SCHEMBL13367640 | 0.75 | TSHR (0.51) | TSHRHTTPLK1ALDH1A1BRD4 | |
| SCHEMBL13140226 | 0.73 | TERT (0.36) | TSHRHTTGABRG2GABRB3GABRA5 | |
| SCHEMBL13961590 | 0.70 | ALDH1A1 (0.38) | TSHRGABRG2GABRB3GABRA5ALDH1A1 | |
| SCHEMBL16972846 | 0.69 | ATAD2 (0.35) | TSHRHTTGABRG2GABRB3GABRA5 | |
| SCHEMBL13341030 | 0.69 | GRM5 (0.35) | TSHRGABRG2GABRB3GABRA5ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8993585-B2 | Cyclic amine substituted pyrimidinediamines as PKC inhibitors | RIGEL PHARMACEUTICALS, INC. (US) | 2015-03-31 | — | — | US | disclosed |