Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL6203529 | 0.89 | TSHR (0.52) | TSHRMAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27608908 | 0.88 | TSHR (0.49) | TSHRMAPTPOLBCYP1A2CYP3A4 | |
| SCHEMBL6201072 | 0.81 | TSHR (0.48) | TSHRMAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6201491 | 0.80 | TSHR (0.50) | TSHRMAPTPOLBCYP1A2CYP3A4 | |
| SCHEMBL6202599 | 0.77 | PTPN1 (0.51) | CYP2C9CYP2C19KMT2A | |
| SCHEMBL10644705 | 0.75 | NPC1 (0.52) | TSHRMAPTCYP3A4CYP2C19KMT2A | |
| SCHEMBL5263940 | 0.73 | CNR1 (0.60) | TSHRMAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6202785 | 0.73 | NPC1 (0.46) | TSHRMAPTCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL27628032 | 0.71 | CHRM1 (0.60) | TSHRKMT2AGAALMNA | |
| SCHEMBL6204706 | 0.71 | NPC1 (0.46) | TSHRMAPTPOLBKMT2AMEN1 |
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 |