Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MITF | O75030 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11836972 | 0.95 | MCL1 (0.54) | CA1MCL1MAPTALDH1A1POLB | |
| SCHEMBL14292324 | 0.77 | MAPT (0.68) | CA1MCL1MAPTALDH1A1POLB | |
| SCHEMBL28789732 | 0.77 | MAPT (0.68) | CA1MCL1MAPTALDH1A1POLB | |
| SCHEMBL15078047 | 0.77 | ALDH1A1 (0.72) | CA1MCL1MAPTALDH1A1POLB | |
| SCHEMBL646175 | 0.74 | TP53 (0.46) | CA1MAPTALDH1A1L3MBTL1TDP1 | |
| SCHEMBL11475684 | 0.73 | CA1 (0.64) | CA1MCL1MAPTALDH1A1POLB | |
| SCHEMBL4389396 | 0.73 | ALDH1A1 (0.78) | CA1MCL1MAPTALDH1A1POLB | |
| SCHEMBL16187787 | 0.73 | ALDH1A1 (0.78) | CA1MCL1MAPTALDH1A1POLB | |
| SCHEMBL7053572 | 0.72 | MAPT (0.61) | CA1MCL1MAPTALDH1A1POLB | |
| SCHEMBL14292320 | 0.72 | MAPT (0.61) | CA1MCL1MAPTALDH1A1POLB |
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 |
|---|---|---|---|---|---|---|---|
| US-20050272036-A1 | Ketones | ASTRAZENECA AB (SE) | 2005-12-08 | — | — | US | disclosed |
| CN-1681763-A | Chemical compounds | ASTRAZENECA AB (SE) | 2005-10-12 | — | — | CN | 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 |