Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16070582 | 0.87 | CYP1A2 (0.45) | CYP1A2CYP2D6APEX1PMP22TRPA1 | |
| SCHEMBL11570871 | 0.82 | ALDH1A1 (0.47) | CYP1A2CYP2D6APEX1PMP22ESR1 | |
| SCHEMBL12512917 | 0.82 | ESR1 (0.55) | CYP1A2CYP2D6ESR1ESR2CYP3A4 | |
| SCHEMBL345256 | 0.82 | TRPA1 (0.39) | CYP1A2TRPA1ESR1ESR2SLC6A4 | |
| SCHEMBL14003410 | 0.80 | TRPA1 (0.58) | APEX1TRPA1ESR1ESR2IDO1 | |
| SCHEMBL344690 | 0.80 | SLC6A2 (0.48) | TRPA1ESR1ESR2SLC6A4IDO1 | |
| SCHEMBL2604925 | 0.79 | TRPA1 (0.55) | CYP1A2TRPA1SLC6A4SIGMAR1CYP3A4 | |
| SCHEMBL345523 | 0.79 | TRPA1 (0.55) | CYP1A2TRPA1SLC6A4SIGMAR1CYP3A4 | |
| SCHEMBL13819786 | 0.78 | APP (0.46) | CYP1A2CYP2D6APEX1PMP22SLC6A4 | |
| SCHEMBL345525 | 0.77 | LDHA (0.53) | CYP1A2CYP2D6SLC6A4IDO1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4175544-A | X-RAYS OF BODY FOR MEDICAL DIAGNOSIS | Lafayette Pharmacal Inc. (US) | 1979-11-27 | — | — | US | disclosed |
| US-4022814-A | Iodine containing organic carbonates for use as radiographic agents | LAFAYETTE PHARMACAL, INC. (US) | 1977-05-10 | — | — | US | disclosed |