Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.58 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.35 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.33 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.33 |
| ▸ | HTR3B | O95264 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.33 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1403637 | 1.00 | CYP3A4 (0.58) | CYP3A4TRPA1MAPK1TDP1TSHR | |
| SCHEMBL22815461 | 0.84 | CYP3A4 (0.59) | CYP3A4TRPA1MAPK1TDP1TSHR | |
| SCHEMBL1555041 | 0.83 | MAPK1 (0.47) | CYP3A4TRPA1MAPK1TDP1TSHR | |
| SCHEMBL13813270 | 0.82 | P2RY6 (0.37) | CYP3A4TRPA1TDP1NOTUMTAS2R14 | |
| SCHEMBL29069269 | 0.82 | CYP3A4 (0.58) | CYP3A4TRPA1MAPK1TDP1TSHR | |
| SCHEMBL7177146 | 0.81 | MAPK1 (0.46) | CYP3A4TRPA1MAPK1TDP1TSHR | |
| SCHEMBL3104369 | 0.80 | CYP3A4 (0.50) | CYP3A4TRPA1MAPK1TDP1TSHR | |
| SCHEMBL29648906 | 0.80 | MAPK1 (0.44) | CYP3A4TRPA1MAPK1TDP1TSHR | |
| SCHEMBL60206 | 0.80 | MAPK1 (0.44) | CYP3A4TRPA1MAPK1TDP1TSHR | |
| SCHEMBL12367734 | 0.79 | NOTUM (0.40) | CYP3A4TRPA1MAPK1TSHRNOTUM |
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-112074511-B | Substituted benzodiazoles and their use in therapy | 托马斯·黑勒戴药物研究基金会 | 2024-04-26 | — | — | CN | disclosed |