Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL6201491 | 0.81 | TSHR (0.50) | ALDH1A1TSHRMAPTSMN1; SMN2POLB | |
| SCHEMBL6203370 | 0.80 | SMN1; SMN2 (0.42) | ALDH1A1TP53NPC1RAB9ATSHR | |
| SCHEMBL27628024 | 0.79 | TSHR (0.46) | NPC1RAB9ATSHRMAPTSMN1; SMN2 | |
| SCHEMBL6202063 | 0.78 | MDM2 (0.46) | MAPTHPGDCYP2C9CYP2C19CYP1A2 | |
| SCHEMBL6201652 | 0.76 | ALDH1A1 (0.43) | ALDH1A1TP53NPC1RAB9ATSHR | |
| SCHEMBL6203245 | 0.70 | PSMB5 (0.44) | ALDH1A1RAB9AHPGD | |
| SCHEMBL7363501 | 0.68 | KDM4E (0.50) | RECQL | |
| SCHEMBL7355550 | 0.67 | RECQL (0.47) | CYP2C9CYP1A2KMT2ARECQL | |
| SCHEMBL1127590 | 0.65 | KMT2A (0.46) | NPC1RAB9ATSHRPOLBL3MBTL1 | |
| SCHEMBL6201072 | 0.65 | TSHR (0.48) | ALDH1A1TSHRMAPTALOX15CYP2C9 |
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 |