Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.64 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | KLK7 | P49862 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL21852160 | 0.83 | CYP3A4 (0.64) | CYP3A4CYP2C19NPSR1CYP1A2CYP2C9 | |
| SCHEMBL17703534 | 0.80 | NPSR1 (0.82) | CYP3A4CYP2C19NPSR1CYP1A2CYP2C9 | |
| SCHEMBL8460316 | 0.79 | TSHR (0.61) | KMT2ASMN1; SMN2ALDH1A1TSHRL3MBTL1 | |
| SCHEMBL28555706 | 0.78 | TSHR (0.57) | KMT2ASMN1; SMN2ALDH1A1TSHRL3MBTL1 | |
| SCHEMBL21851972 | 0.78 | CYP3A4 (1.00) | CYP3A4CYP2C19NPSR1CYP1A2CYP2C9 | |
| SCHEMBL6203513 | 0.78 | NPSR1 (0.58) | CYP3A4CYP2C19NPSR1CYP1A2CYP2C9 | |
| SCHEMBL6223942 | 0.77 | NPSR1 (0.65) | CYP3A4CYP2C19NPSR1CYP1A2CYP2C9 | |
| SCHEMBL7877273 | 0.77 | NPSR1 (0.77) | CYP3A4CYP2C19NPSR1CYP1A2CYP2C9 | |
| SCHEMBL10694408 | 0.76 | TSHR (0.57) | KMT2AALDH1A1TSHRL3MBTL1MEN1 | |
| SCHEMBL27632520 | 0.76 | ALDH1A1 (0.68) | CYP3A4CYP2C19NPSR1CYP1A2CYP2C9 |
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 |