Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | BACE1 | P56817 | 2/20 | 0.42 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.40 |
| ▸ | HTT | P42858 | 6/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | MITF | O75030 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2910705 | 0.93 | SMN1; SMN2 (0.48) | SMN1; SMN2BACE1BACE2KMT2AHTT | |
| SCHEMBL2910703 | 0.93 | SMN1; SMN2 (0.48) | SMN1; SMN2BACE1BACE2KMT2AHTT | |
| SCHEMBL31441615 | 0.82 | SMN1; SMN2 (0.44) | SMN1; SMN2KMT2AHTTMEN1PKM | |
| SCHEMBL4332383 | 0.79 | BACE2 (0.44) | SMN1; SMN2BACE1BACE2HTTLMNA | |
| SCHEMBL9938244 | 0.79 | ALDH1A1 (0.42) | SMN1; SMN2KMT2AHTTMEN1PKM | |
| SCHEMBL9938240 | 0.79 | ALDH1A1 (0.42) | SMN1; SMN2KMT2AHTTMEN1PKM | |
| SCHEMBL3135662 | 0.70 | ALDH1A1 (0.56) | KMT2AHTTMEN1PKMALDH1A1 | |
| SCHEMBL29379815 | 0.69 | ALDH1A1 (0.55) | SMN1; SMN2KMT2AMEN1MAPK1LMNA | |
| SCHEMBL1220299 | 0.69 | ALDH1A1 (0.55) | SMN1; SMN2KMT2AMEN1MAPK1LMNA | |
| SCHEMBL5492543 | 0.68 | ALDH1A1 (0.46) | SMN1; SMN2KMT2AHTTMEN1LMNA |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1637528-B1 | Oxygenated-heterocycle containing sulfonamide inhibitors of aspartyl protease | VERTEX PHARMA (US) | 2010-09-01 | — | — | EP | disclosed |
| EP-1637528-A1 | Oxygenated-heterocycle containing sulfonamide inhibitors of aspartyl protease | Vertex Pharmaceuticals Incorporated (US) | 2006-03-22 | — | — | EP | disclosed |
| EP-1136479-B1 | Oxygenated-heterocycle containing sulfonamide inhibitors of aspartyl protease | VERTEX PHARMA (US) | 2005-12-28 | — | — | EP | disclosed |
| EP-0833826-B1 | Oxygenated-heterocycle containing sulfonamide inhibitors of aspartyl protease | VERTEX PHARMA (US) | 2002-01-23 | — | — | EP | disclosed |
| EP-1136479-A1 | Oxygenated-heterocycle containing sulfonamide inhibitors of aspartyl protease | Vertex Pharmaceuticals Incorporated (US) | 2001-09-26 | — | — | EP | disclosed |
| US-5990155-A | VIRICIDES AGAINST THE HIV-1 AND HIV-2 VIRUSES; REVERSE TRANSCRIPTASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1999-11-23 | — | — | US | disclosed |
| EP-0833826-A1 | OXYGENATED-HETEROCYCLE CONTAINING SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE | Vertex Pharmaceuticals Incorporated (US) | 1998-04-08 | — | — | EP | disclosed |
| US-5691372-A | Oxygenated-Heterocycle containing sulfonamide inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1997-11-25 | — | — | US | disclosed |
| WO-1996033187-A1 | OXYGENATED-HETEROCYCLE CONTAINING SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1996-10-24 | — | — | WO | disclosed |