Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.35 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | NCEH1 | Q6PIU2 | 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 | |
|---|---|---|---|---|
| SCHEMBL9296111 | 0.77 | CYP2A6 (0.44) | CYP2A6TSHRTDP1ALDH1A1HSD17B10 | |
| SCHEMBL5802807 | 0.72 | SIGMAR1 (0.51) | CYP2A6TSHRALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL1772889 | 0.69 | ALDH1A1 (0.35) | CYP2A6TSHRTDP1ALDH1A1HSD17B10 | |
| SCHEMBL11299779 | 0.69 | NCEH1 (0.44) | ALDH1A1HSD17B10SIGMAR1LMNANCEH1 | |
| SCHEMBL8375774 | 0.68 | TSHR (0.42) | CYP2A6TSHRTDP1ALDH1A1HSD17B10 | |
| SCHEMBL5423923 | 0.68 | SIGMAR1 (0.38) | CYP2A6TSHRTDP1ALDH1A1HSD17B10 | |
| SCHEMBL14283527 | 0.67 | CYP1A2 (0.50) | CYP2A6TSHRTDP1ALDH1A1HSD17B10 | |
| SCHEMBL8584659 | 0.67 | CYP2A6 (0.41) | CYP2A6TSHRTDP1ALDH1A1HSD17B10 | |
| SCHEMBL5858906 | 0.66 | CYP2A6 (0.60) | CYP2A6TSHRTDP1ALDH1A1HSD17B10 | |
| SCHEMBL23457936 | 0.66 | ELANE (0.41) | CYP2A6TSHRTDP1ALDH1A1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008117299-A1 | PROCESS FOR PREPARING CINACALCET HYDROCHLORIDE | MACLEODS PHARMACEUTICALS LIMITED (IN) | 2008-10-02 | — | — | WO | disclosed |