Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1543761 | 0.91 | CYP3A4 (0.55) | KMT2AATMKCNH2TSHRCYP3A4 | |
| SCHEMBL6322567 | 0.90 | TSHR (0.44) | KMT2AATMKCNH2TSHRCYP3A4 | |
| SCHEMBL6313413 | 0.89 | MEN1 (0.57) | KMT2AKCNH2TSHRCYP3A4ALDH1A1 | |
| SCHEMBL6320703 | 0.87 | TSHR (0.44) | KMT2AATMKCNH2TSHRCYP3A4 | |
| SCHEMBL1544099 | 0.84 | TSHR (0.59) | KMT2AATMTSHRCYP3A4ALDH1A1 | |
| SCHEMBL1545056 | 0.84 | CYP3A4 (0.54) | KMT2AATMKCNH2TSHRCYP3A4 | |
| SCHEMBL1543675 | 0.83 | TSHR (0.54) | KMT2AATMTSHRCYP3A4ALDH1A1 | |
| SCHEMBL1544688 | 0.82 | KMT2A (0.54) | KMT2AATMTSHRCYP3A4ALDH1A1 | |
| SCHEMBL1544519 | 0.82 | TSHR (0.55) | KMT2AATMTSHRCYP3A4ALDH1A1 | |
| SCHEMBL1544853 | 0.82 | ALDH1A1 (0.56) | KMT2ATSHRCYP3A4ALDH1A1MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1529045-A2 | NEW COMPOUNDS | Astra Zeneca AB (SE) | 2005-05-11 | — | — | EP | disclosed |
| WO-2004014881-A2 | '1,2,4'OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | ASTRA ZENECA AB (SE) | 2004-02-19 | — | — | WO | disclosed |