Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 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 | 0.89 | PKM (0.34) | MAPK1MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL10613005 | 0.86 | ESR1 (0.37) | KMT2APDK1PDK2PDK3PDK4 | |
| Hydrochloric Acid SCHEMBL11053035 | 0.85 | ESR1 (0.36) | KMT2APDK1PDK2PDK3PDK4 | |
| SCHEMBL11051496 | 0.84 | CA1 (0.32) | MEN1KMT2AALDH1A1HTTSRC | |
| SCHEMBL11053340 | 0.83 | ALDH1A1 (0.36) | HPGDESR1ALDH1A1CXCL8MAPT | |
| Hydrochloric Acid SCHEMBL11077419 | 0.83 | S1PR4 (0.35) | MEN1KMT2AESR1ALDH1A1HTT | |
| SCHEMBL11054047 | 0.83 | ALDH1A1 (0.40) | MEN1KMT2AHPGDESR1ALDH1A1 | |
| SCHEMBL11059255 | 0.83 | ABL1 (0.40) | ESR1ALDH1A1HTTMAPTS1PR4 | |
| Hydrochloric Acid SCHEMBL11133882 | 0.82 | ABL1 (0.40) | ESR1ALDH1A1HTTMAPTS1PR4 | |
| SCHEMBL11053218 | 0.81 | RORC (0.35) | KMT2AESR1ALDH1A1MAPTS1PR4 |
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 |