Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.48 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.48 |
| ▸ | FYN | P06241 | 1/20 | 0.48 |
| ▸ | RET | P07949 | 1/20 | 0.48 |
| ▸ | MET | P08581 | 1/20 | 0.48 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.48 |
| ▸ | PIM1 | P11309 | 1/20 | 0.48 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.48 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.48 |
| ▸ | LTK | P29376 | 1/20 | 0.48 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.48 |
| ▸ | FLT3 | P36888 | 1/20 | 0.48 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.48 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.48 |
| ▸ | CDK8 | P49336 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11589587 | 0.99 | CYP2D6 (0.57) | CYP2D6CYP2C9HSD17B10TSHRCHEK1 | |
| SCHEMBL11593176 | 0.90 | CYP2D6 (0.71) | CYP2D6CYP2C9HSD17B10TSHRCHEK1 | |
| Hydrochloric Acid SCHEMBL11592525 | 0.88 | CYP2D6 (0.69) | CYP2D6CYP2C9HSD17B10TSHRCHEK1 | |
| SCHEMBL11591167 | 0.84 | CYP2D6 (0.68) | CYP2D6CYP2C9HSD17B10TSHRCHEK1 | |
| Hydrochloric Acid SCHEMBL11588945 | 0.83 | CYP2D6 (0.66) | CYP2D6CYP2C9HSD17B10TSHRCHEK1 | |
| SCHEMBL11651228 | 0.77 | HRH3 (0.58) | CYP2D6CYP2C9HSD17B10TSHRCHEK1 | |
| SCHEMBL11592072 | 0.77 | CYP2D6 (0.53) | CYP2D6CYP2C9HSD17B10TSHRCHEK1 | |
| SCHEMBL11592069 | 0.77 | CYP2D6 (0.53) | CYP2D6CYP2C9HSD17B10TSHRCHEK1 | |
| SCHEMBL11590895 | 0.76 | CYP2D6 (0.56) | CYP2D6CYP2C9HSD17B10TSHRCHEK1 | |
| SCHEMBL11590898 | 0.76 | CYP2D6 (0.56) | CYP2D6CYP2C9HSD17B10TSHRCHEK1 |
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-4113777-A | ANTISECRETORY, ANTITUSSIVE, ANTIULCER | BOEHRINGER INGELHEIM GMBH (DE) | 1978-09-12 | — | — | US | disclosed |
| US-4073942-A | Halo-substituted hydroxybenzyl-amines as secretolytic agents | BOEHRINGER INGELHEIM GMBH (DT) | 1978-02-14 | — | — | US | disclosed |