Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | NPC1 | O15118 | 4/20 | 0.54 |
| ▸ | RAB9A | P51151 | 4/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LDHA | P00338 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1770266 | 0.78 | OPRM1 (0.40) | ALDH1A1NPC1RAB9APOLBSMN1; SMN2 | |
| SCHEMBL1769984 | 0.76 | HSD11B1 (0.41) | ALDH1A1NPC1RAB9APOLBSMN1; SMN2 | |
| SCHEMBL1769924 | 0.76 | HSD11B1 (0.41) | ALDH1A1NPC1RAB9APOLBSMN1; SMN2 | |
| SCHEMBL12596442 | 0.75 | HSD11B1 (0.43) | ALDH1A1SMN1; SMN2HSD11B1MAPTLMNA | |
| SCHEMBL923975 | 0.74 | HSD11B1 (0.45) | ALDH1A1NPC1RAB9APOLBSMN1; SMN2 | |
| SCHEMBL6203085 | 0.71 | ALDH1A1 (0.97) | ALDH1A1NPC1RAB9APOLBSMN1; SMN2 | |
| SCHEMBL6203276 | 0.71 | HSD11B1 (0.83) | ALDH1A1NPC1RAB9AHSD11B1KMT2A | |
| SCHEMBL20368151 | 0.70 | HTT (0.41) | ALDH1A1POLBKMT2AMEN1MAPT | |
| SCHEMBL8673955 | 0.69 | HSD11B1 (0.59) | ALDH1A1NPC1RAB9APOLBHSD11B1 | |
| SCHEMBL5918187 | 0.69 | LDHA (0.60) | ALDH1A1NPC1RAB9APOLBSMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050272036-A1 | Ketones | ASTRAZENECA AB (SE) | 2005-12-08 | — | — | US | disclosed |
| EP-1549600-A1 | KETONES | AstraZeneca AB (SE) | 2005-07-06 | — | — | EP | disclosed |
| WO-2004011410-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2004-02-05 | — | — | WO | disclosed |