Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTB4R | Q15722 | 5/20 | 0.37 |
| ▸ | LTB4R2 | Q9NPC1 | 5/20 | 0.37 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | FDFT1 | P37268 | 1/20 | 0.34 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.32 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.32 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.32 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.32 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.32 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 2/20 | 0.31 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5416780 | 0.82 | LTB4R (0.36) | LTB4RLTB4R2AKR1C1DDB1CRBN | |
| SCHEMBL6076968 | 0.77 | DDB1 (0.33) | DDB1CRBNGRM2F2PRSS1 | |
| SCHEMBL6077944 | 0.75 | F2 (0.33) | DDB1CRBNGRM2F2PRSS1 | |
| SCHEMBL6076342 | 0.74 | OPRM1 (0.38) | DDB1CRBNALDH1A1HSD17B10HPGD | |
| SCHEMBL4825369 | 0.74 | MAOB (0.32) | DDB1CRBN | |
| SCHEMBL6078250 | 0.72 | OPRM1 (0.36) | ALDH1A1F2PRSS1 | |
| SCHEMBL230546 | 0.72 | CTRB1 (0.36) | LTB4RLTB4R2ABCB1GRM2PSEN1 | |
| SCHEMBL133894 | 0.71 | MEN1 (0.36) | ALDH1A1USP2HPGD | |
| SCHEMBL5174284 | 0.71 | SIRT1 (0.38) | ABCB1GRM2HPGD | |
| SCHEMBL388934 | 0.70 | ALDH1A1 (0.36) | ABCB1ALDH1A1GRM2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2271622-A2 | HETEROARYL DERIVATIVES AS CFTR MODULATORS | Vertex Pharmaceuticals Incorporated (US) | 2011-01-12 | — | — | EP | disclosed |
| WO-2009108657-A2 | HETEROARYL DERIVATIVES AS CFTR MODULATORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-09-03 | — | — | WO | disclosed |