Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 5/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.39 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL11059343 | 0.86 | HPGD (0.44) | ALDH1A1LMNAHPGDGLATSHR | |
| SCHEMBL11055184 | 0.84 | GAA (0.37) | ALDH1A1LMNAKMT2AGAANPSR1 | |
| SCHEMBL11057749 | 0.82 | ALDH1A1 (0.46) | ALDH1A1LMNAHPGDPKMCACNA1B | |
| SCHEMBL11053556 | 0.82 | GAA (0.35) | ALDH1A1LMNAKMT2AGAAKDM4E | |
| SCHEMBL11058459 | 0.80 | KMT2A (0.43) | ALDH1A1HPGDKMT2ASMN1; SMN2GAA | |
| SCHEMBL11053970 | 0.80 | GAA (0.39) | ALDH1A1LMNAKMT2ASMN1; SMN2GAA | |
| Hydrochloric Acid SCHEMBL11141193 | 0.79 | GAA (0.38) | ALDH1A1LMNAKMT2ASMN1; SMN2GAA | |
| Hydrochloric Acid SCHEMBL11556637 | 0.76 | HPGD (0.43) | ALDH1A1HPGDGLAPKMCACNA1B | |
| SCHEMBL11056901 | 0.74 | HPGD (0.44) | ALDH1A1LMNAHPGDGLAKMT2A | |
| SCHEMBL11061749 | 0.73 | SMN1; SMN2 (0.40) | ALDH1A1LMNASMN1; SMN2NPSR1HTT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4452980-A | DIARRHEA | WILLIAM H. RORER, INC. (US) | 1984-06-05 | — | — | US | disclosed |
| US-4418209-A | ANTIULCER, ANTIARRYTHMIC, ANTIDIARRHEAL, ANTISPASMODIC, ANTIPARASITIC, AND ANTISECRETORY AGENTS | WILLIAM H. RORER, INC. (US) | 1983-11-29 | — | — | US | disclosed |
| US-4246409-A | ANTIDIARRHEAL AGENTS | WILLIAM H. RORER, INC. (US) | 1981-01-20 | — | — | US | disclosed |
| US-4225315-A | Triazinones from amidinoureas | WILLIAM H. RORER, INC. (US) | 1980-09-30 | — | — | US | disclosed |