Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 7/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | GMNN | O75496 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | CTSG | P08311 | 1/20 | 0.35 |
| ▸ | CTSA | P10619 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28671657 | 0.89 | CYP1A2 (0.45) | CYP1A2CYP2A6MAOAMAOBTSHR | |
| Ammonia Solution, Strong SCHEMBL2263911 | 0.84 | CYP1A2 (0.50) | CYP1A2CYP2A6TSHRALDH1A1LMNA | |
| SCHEMBL31621532 | 0.82 | CYP1A2 (0.39) | CYP1A2CYP2A6MAOAMAOBTSHR | |
| SCHEMBL4644475 | 0.81 | MAOA (0.46) | CYP1A2CYP2A6MAOAMAOBTSHR | |
| SCHEMBL29660297 | 0.81 | CYP1A2 (0.53) | CYP1A2CYP2A6TSHRALDH1A1LMNA | |
| SCHEMBL357443 | 0.81 | CYP1A2 (0.53) | CYP1A2CYP2A6TSHRALDH1A1LMNA | |
| SCHEMBL28539881 | 0.78 | CYP1A2 (0.50) | CYP1A2CYP2A6TSHRALDH1A1LMNA | |
| SCHEMBL27707210 | 0.76 | ALDH1A1 (0.37) | CYP1A2CYP2A6MAOAMAOBTSHR | |
| Hydrazine SCHEMBL394386 | 0.75 | CYP1A2 (0.47) | CYP1A2CYP2A6TSHRALDH1A1LMNA | |
| SCHEMBL167933 | 0.74 | CYP1A2 (0.53) | CYP1A2CYP2A6TSHRALDH1A1LMNA |
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-3996259-A | QUATERNARY AMMONIUM OR PHOSPHONIUM SALT | THE DOW CHEMICAL COMPANY (US) | 1976-12-07 | — | — | US | disclosed |