Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.32 |
| ▸ | NPC1 | O15118 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1812651 | 1.00 | ESR2 (0.39) | ESR2CYP2D6TSHRNPSR1LMNA | |
| SCHEMBL19031254 | 0.83 | ALDH1A1 (0.36) | NPSR1LMNAALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL7572218 | 0.79 | DPP4 (0.35) | NPSR1LMNAALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL13181696 | 0.77 | CYP2D6 (0.40) | ESR2CYP2D6NPSR1LMNAALDH1A1 | |
| SCHEMBL20599694 | 0.77 | ESR2 (0.41) | ESR2CYP2D6NPSR1LMNABCHE | |
| SCHEMBL5909622 | 0.74 | ESR2 (0.34) | ESR2NPSR1LMNABCHEALDH1A1 | |
| SCHEMBL3812188 | 0.74 | ESR2 (0.42) | ESR2CYP2D6TSHRNPSR1LMNA | |
| SCHEMBL11041444 | 0.74 | CYP2D6 (0.43) | ESR2CYP2D6TSHRNPSR1BCHE | |
| SCHEMBL20400492 | 0.72 | SLC6A2 (0.32) | TSHRLMNASMN1; SMN2 | |
| SCHEMBL1900997 | 0.72 | ESR2 (0.55) | ESR2CYP2D6TSHRNPSR1LMNA |
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-2011061590-A1 | NOVEL CARBOXAMIDE DERIVATIVES AS HIV INHIBITORS | HETERO RESEARCH FOUNDATION (IN) | 2011-05-26 | — | — | WO | disclosed |