Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.44 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | RARG | P13631 | 2/20 | 0.40 |
| ▸ | RARB | P10826 | 1/20 | 0.40 |
| ▸ | KMO | O15229 | 1/20 | 0.38 |
| ▸ | LIPG | Q9Y5X9 | 2/20 | 0.38 |
| ▸ | TNKS | O95271 | 3/20 | 0.37 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4965859 | 0.95 | KMO (0.43) | AKR1C3AKR1C1TRPV6ALDH1A1KDM4E | |
| SCHEMBL6209027 | 0.84 | NOTUM (0.46) | ALDH1A1KDM4EMEN1GAAKMT2A | |
| SCHEMBL4969223 | 0.78 | NOTUM (0.43) | KMONOTUM | |
| SCHEMBL4966863 | 0.77 | RAB9A (0.45) | KDM4EMEN1KMT2AKMONOTUM | |
| SCHEMBL4969319 | 0.76 | NOTUM (0.39) | ALDH1A1MEN1KMT2ARARGRARB | |
| Bicarbonate SCHEMBL7572186 | 0.72 | AKR1C3 (0.70) | AKR1C3AKR1C1ALDH1A1GAALIPG | |
| SCHEMBL31702895 | 0.70 | CDC7 (0.38) | KDM4EMEN1KMT2ATNKS | |
| Benzoic Acid SCHEMBL11807312 | 0.69 | TSHR (0.56) | AKR1C3AKR1C1ALDH1A1RARGRARB | |
| SCHEMBL9472162 | 0.69 | TSHR (0.52) | AKR1C3AKR1C1ALDH1A1RARGRARB | |
| SCHEMBL10895189 | 0.68 | AKR1C3 (0.61) | AKR1C3AKR1C1GAASLC18A3SIGMAR1 |
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-1954693-A1 | BETA-SECRETASE MODULATORS AND METHODS OF USE | Amgen Inc. (US) | 2008-08-13 | — | — | EP | disclosed |
| WO-2007062007-A1 | BETA-SECRETASE MODULATORS AND METHODS OF USE | AMGEN INC. (US) | 2007-05-31 | — | — | WO | disclosed |