Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | ERN1 | O75460 | 3/20 | 0.41 |
| ▸ | TLR2 | O60603 | 1/20 | 0.41 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.41 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8373570 | 0.86 | ALDH1A1 (0.58) | ALDH1A1HPGDHTTSMN1; SMN2PTGDR2 | |
| SCHEMBL812635 | 0.84 | ALDH1A1 (0.77) | ALDH1A1HPGDHTTSMN1; SMN2PTGDR2 | |
| SCHEMBL30920025 | 0.84 | ALDH1A1 (0.77) | ALDH1A1HPGDHTTSMN1; SMN2PTGDR2 | |
| SCHEMBL5724553 | 0.83 | ALDH1A1 (0.58) | ALDH1A1HPGDHTTSMN1; SMN2PTGDR2 | |
| SCHEMBL29923063 | 0.83 | ALDH1A1 (0.58) | ALDH1A1HPGDHTTSMN1; SMN2PTGDR2 | |
| SCHEMBL8546246 | 0.81 | ALDH1A1 (0.56) | ALDH1A1HPGDHTTSMN1; SMN2PTGDR2 | |
| SCHEMBL27659218 | 0.80 | ERN1 (0.62) | ALDH1A1HPGDHTTSMN1; SMN2PTGDR2 | |
| SCHEMBL15077481 | 0.80 | ALDH1A1 (0.55) | ALDH1A1HPGDHTTSMN1; SMN2PTGDR2 | |
| SCHEMBL12610716 | 0.80 | ALDH1A1 (0.55) | ALDH1A1HPGDHTTSMN1; SMN2PTGDR2 | |
| SCHEMBL5030438 | 0.79 | ALDH1A1 (0.48) | ALDH1A1HPGDHTTSMN1; SMN2PTGDR2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0817782-B1 | PHENYL DERIVATIVES USEFUL AS ENDOTHELIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 2002-09-25 | — | — | EP | disclosed |
| US-6147111-A | KIDNEY, BRAIN, AND CARDIOVASCULAR DISORDERS; VASODILATION | SMITHKLINE BEECHAM P.L.C. (GB) | 2000-11-14 | — | — | US | disclosed |
| EP-0817782-A1 | PHENYL DERIVATIVES USEFUL AS ENDOTHELIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1998-01-14 | — | — | EP | disclosed |
| WO-1996030358-A1 | PHENYL DERIVATIVES USEFUL AS ENDOTHELIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1996-10-03 | — | — | WO | disclosed |