Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | GPR132 | Q9UNW8 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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) | TSHRMAPTCYP2C9CYP1A2CYP3A4 | |
| SCHEMBL6204076 | 0.88 | TSHR (0.49) | TSHRMAPTCYP2C9CYP1A2CYP3A4 | |
| SCHEMBL6201072 | 0.81 | TSHR (0.48) | TSHRMAPTCYP2C9CYP1A2CYP3A4 | |
| SCHEMBL6201491 | 0.80 | TSHR (0.50) | TSHRMAPTCYP2C9CYP1A2CYP3A4 | |
| SCHEMBL6202599 | 0.77 | PTPN1 (0.51) | CYP2C9CYP2C19KMT2APTPN1 | |
| SCHEMBL6202785 | 0.73 | NPC1 (0.46) | TSHRMAPTCYP2C9CYP3A4CYP2C19 | |
| SCHEMBL10644705 | 0.72 | NPC1 (0.52) | TSHRMAPTCYP3A4CYP2C19GAA | |
| SCHEMBL27628032 | 0.71 | CHRM1 (0.60) | TSHRGAAKMT2ALMNAPTPN1 | |
| SCHEMBL6204706 | 0.71 | NPC1 (0.46) | TSHRMAPTGAAMEN1KMT2A | |
| SCHEMBL5263940 | 0.71 | CNR1 (0.60) | TSHRMAPTCYP2C9CYP1A2CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1681763-A | Chemical compounds | ASTRAZENECA AB (SE) | 2005-10-12 | — | — | CN | disclosed |