Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CNR1 | P21554 | 1/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 9/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | ECE1 | P42892 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6204076 | 0.89 | TSHR (0.49) | TSHRMAPTCNR1CYP2C9CYP2C19 | |
| SCHEMBL27608908 | 0.89 | TSHR (0.49) | TSHRMAPTCNR1PTPN1CYP2C9 | |
| SCHEMBL6202599 | 0.87 | PTPN1 (0.51) | PTPN1CYP2C9CYP2C19CHRM1ECE1 | |
| SCHEMBL6201072 | 0.87 | TSHR (0.48) | TSHRMAPTCNR1PTPN1CYP2C9 | |
| SCHEMBL6201491 | 0.82 | TSHR (0.50) | TSHRMAPTCYP2C9CYP2C19CYP1A2 | |
| SCHEMBL27628032 | 0.82 | CHRM1 (0.60) | TSHRPTPN1GAACHRM1EPHX2 | |
| SCHEMBL6202785 | 0.81 | NPC1 (0.46) | TSHRMAPTCYP2C9CYP2C19CYP3A4 | |
| SCHEMBL6203634 | 0.81 | NTSR1 (0.57) | MAPTPTPN1GAALMNA | |
| SCHEMBL27608839 | 0.78 | PTPN1 (0.57) | PTPN1CYP3A4GAACHRM1ALDH1A1 | |
| SCHEMBL3370947 | 0.76 | EPHX1 (0.56) | CNR1CYP2C9CYP2C19EPHX2 |
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 |