Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | PPID | Q08752 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11060139 | 0.95 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2ALOX12HTTCYP1A2 | |
| Hydrochloric Acid SCHEMBL11562696 | 0.90 | CYP1A2 (0.47) | ALDH1A1SMN1; SMN2ALOX12HTTCYP1A2 | |
| SCHEMBL11137837 | 0.87 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2ALOX12HTTCYP1A2 | |
| SCHEMBL11056380 | 0.86 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2ALOX12HTTKMT2A | |
| SCHEMBL11052205 | 0.86 | CYP1A2 (0.43) | ALDH1A1SMN1; SMN2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL11060091 | 0.84 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2HTTKMT2AOPRM1 | |
| SCHEMBL11061902 | 0.84 | SMN1; SMN2 (0.41) | ALDH1A1SMN1; SMN2ALOX12HTTOPRM1 | |
| SCHEMBL11057720 | 0.83 | ALDH1A1 (0.39) | ALDH1A1SMN1; SMN2ALOX12HTTOPRM1 | |
| SCHEMBL10615590 | 0.82 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2HTTKMT2AOPRM1 | |
| SCHEMBL11061778 | 0.82 | ALDH1A1 (0.38) | ALDH1A1SMN1; SMN2HTTCYP2D6CYP2C19 |
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 |