Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.53 |
| ▸ | FBP1 | P09467 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MGAM | O43451 | 2/20 | 0.40 |
| ▸ | SI | P14410 | 2/20 | 0.40 |
| ▸ | MGAM2 | Q2M2H8 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL27271796 | 0.85 | ALDH1A1 (0.47) | FBP1ALDH1A1PKMHPGDGAA | |
| SCHEMBL3077375 | 0.76 | SIRT1 (0.77) | SIRT1ALDH1A1PKMHPGDGAA | |
| SCHEMBL6650786 | 0.76 | SIRT1 (0.53) | SIRT1FBP1ALDH1A1HPGDGAA | |
| SCHEMBL8054533 | 0.76 | FBP1 (0.50) | FBP1ALDH1A1PKMHPGDGAA | |
| SCHEMBL6629448 | 0.73 | SIRT1 (0.57) | SIRT1FBP1ALDH1A1PKMHPGD | |
| SCHEMBL7695938 | 0.71 | SIRT1 (0.74) | SIRT1ALDH1A1HPGDHSD17B10MAPT | |
| SCHEMBL6881271 | 0.71 | SIRT1 (0.47) | SIRT1ALDH1A1HPGDHSD17B10MAPT | |
| SCHEMBL30517722 | 0.70 | CSNK1A1 (0.50) | ALDH1A1HPGDGAANPC1RAB9A | |
| SCHEMBL995828 | 0.70 | CSNK1A1 (0.50) | ALDH1A1HPGDGAANPC1RAB9A | |
| SCHEMBL6632649 | 0.70 | SIRT1 (0.53) | SIRT1ALDH1A1PKMHPGDGAA |
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-1480977-A2 | SUBSTITUTED ARYL COMPOUNDS FOR TREATMENT OF DISEASE | PHARMACIA & UPJOHN COMPANY (US) | 2004-12-01 | — | — | EP | disclosed |
| WO-2003070728-A2 | AZABICYCLO-SUBSTITUTED BENZOYLAMIDES AND THIOAMIDES FOR TREATMENT OF CNS-RELATED DISORDERS | PHARMACIA & UPJOHN COMPANY (US) | 2003-08-28 | — | — | WO | disclosed |