Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
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 SCHEMBL11557239 | 0.88 | PKM (0.34) | ALDH1A1POLBLMNATSHRMEN1 | |
| SCHEMBL11053231 | 0.87 | ALDH1A1 (0.36) | ALDH1A1TP53CYP3A4TDP1POLB | |
| SCHEMBL10615590 | 0.86 | ALDH1A1 (0.41) | ALDH1A1TP53CYP3A4TDP1POLB | |
| SCHEMBL11056380 | 0.85 | ALDH1A1 (0.40) | ALDH1A1TP53CYP3A4TDP1ESR1 | |
| SCHEMBL6698678 | 0.83 | TP53 (0.45) | ALDH1A1TP53CYP3A4TDP1POLB | |
| SCHEMBL11056202 | 0.83 | ALDH1A1 (0.39) | ALDH1A1TP53CYP3A4TDP1ESR1 | |
| SCHEMBL11060091 | 0.83 | ALDH1A1 (0.41) | ALDH1A1TP53CYP3A4TDP1ESR1 | |
| SCHEMBL11051496 | 0.83 | CA1 (0.32) | ALDH1A1LMNAMEN1KMT2AHTT | |
| SCHEMBL11053334 | 0.83 | MAPK1 (0.40) | ALDH1A1POLBESR1MEN1KMT2A | |
| SCHEMBL11056806 | 0.81 | DRD2 (0.39) | ALDH1A1TP53CYP3A4TDP1KMT2A |
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-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 |
| US-4147804-A | ANTIARRHYTHMIA AGENTS | WILLIAM H. RORER, INC. (US) | 1979-04-03 | — | — | US | disclosed |