Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.39 |
| ▸ | HTR3B | O95264 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.39 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11838675 | 0.81 | ALDH1A1 (0.41) | ALDH1A1TDP1HTR3EHTR3BHTR3A | |
| SCHEMBL14868762 | 0.80 | HTR3E (0.41) | ALDH1A1TDP1HTR3EHTR3BHTR3A | |
| Hydrochloric Acid SCHEMBL11250652 | 0.76 | POLB (0.41) | ALDH1A1TDP1HTR3EHTR3BHTR3A | |
| SCHEMBL8742571 | 0.74 | NR1H4 (0.44) | ALDH1A1LMNAL3MBTL1TSHRHSD17B10 | |
| SCHEMBL5049977 | 0.73 | ROCK2 (0.51) | ALDH1A1TDP1POLBLMNAL3MBTL1 | |
| SCHEMBL8742570 | 0.72 | CYP3A4 (0.33) | ALDH1A1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL14868769 | 0.71 | LIPE (0.37) | ALDH1A1TDP1HTR3EHTR3BHTR3A | |
| SCHEMBL14868689 | 0.70 | HTR3E (0.46) | ALDH1A1TDP1HTR3EHTR3BHTR3A | |
| SCHEMBL11259602 | 0.69 | TRPA1 (0.42) | ALDH1A1TDP1POLBLMNAL3MBTL1 | |
| SCHEMBL11244774 | 0.69 | ALDH1A1 (0.38) | ALDH1A1TDP1POLBLMNAL3MBTL1 |
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-4326074-A | ANTIDIARRHEA AGENTS | WILLIAM H. RORER, INC. (US) | 1982-04-20 | — | — | US | disclosed |
| US-4025652-A | ANTIDIARRHEA AGENTS | WILLIAM H. RORER, INC. (US) | 1977-05-24 | — | — | US | disclosed |