Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | USP2 | O75604 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18766546 | 0.87 | HPGD (0.50) | TSHRUSP2HPGDCYP3A4ALDH1A1 | |
| SCHEMBL18785242 | 0.85 | HPGD (0.53) | TSHRUSP2HPGDALDH1A1CHRM2 | |
| SCHEMBL18785386 | 0.82 | CYP3A4 (0.41) | TSHRCYP2C9USP2CYP2D6HPGD | |
| SCHEMBL18785384 | 0.81 | KCNH2 (0.55) | TSHRCYP3A4CHRM2CHRM3 | |
| SCHEMBL18785478 | 0.81 | MEN1 (0.47) | HPGD | |
| SCHEMBL18785385 | 0.81 | CYP3A4 (0.53) | TSHRCYP2C9USP2CYP2D6HSD17B10 | |
| SCHEMBL18766499 | 0.81 | CYP3A4 (0.56) | TSHRCYP2C9USP2CYP2D6CYP2C19 | |
| SCHEMBL18766497 | 0.79 | CHRM2 (0.44) | TSHRUSP2CYP2D6CYP3A4ALDH1A1 | |
| SCHEMBL18766550 | 0.79 | CHRM2 (0.44) | TSHRUSP2CYP2D6CYP3A4ALDH1A1 | |
| SCHEMBL18785265 | 0.79 | CHRM2 (0.44) | TSHRUSP2CYP2D6CYP3A4ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017067664-A1 | OXA-DIAZASPIRO COMPOUNDS HAVING ACTIVITY AGAINST PAIN | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2017-04-27 | — | — | WO | disclosed |