Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | PNMT | P11086 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.30 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4661697 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL30362972 | 0.95 | TSHR (0.45) | TSHRLMNAALDH1A1CYP2A6CYP1A2 | |
| Hydrochloric Acid SCHEMBL4996670 | 0.95 | TSHR (0.45) | TSHRLMNAALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL10835044 | 0.90 | TSHR (0.41) | TSHRLMNAALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL1578375 | 0.88 | TSHR (0.39) | TSHRLMNAALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL6034705 | 0.77 | TSHR (0.42) | TSHRLMNAALDH1A1CYP2A6CYP1A2 | |
| Trifluoromethanesulfonic Acid SCHEMBL11057554 | 0.77 | GPR3 (0.42) | TSHR | |
| Fluoride Ion SCHEMBL9340056 | 0.77 | ALDH1A1 (0.45) | TSHRLMNAALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL5551583 | 0.76 | CYP2A6 (0.31) | CYP2A6 | |
| Hydrochloric Acid SCHEMBL9661562 | 0.75 | TSHR (0.41) | TSHRLMNAALDH1A1CYP2A6CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-3950444-A | THERMAL DECOMPOSITION OF AN ARYL DIAZONIUM FLUORIDE | OLIN CORPORATION (US) | 1976-04-13 | — | — | US | disclosed |