Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | WNT1 | P04628 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10854108 | 0.96 | POLB (0.48) | POLBALDH1A1SMN1; SMN2PKMTSHR | |
| SCHEMBL10857082 | 0.78 | ALDH1A1 (0.41) | ALDH1A1CYP3A4CYP2C9CYP2C19LMNA | |
| SCHEMBL10857092 | 0.77 | PTGES (0.40) | POLBALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10855623 | 0.74 | RECQL (0.41) | POLBALDH1A1PKMHTT | |
| SCHEMBL10857588 | 0.74 | SYK (0.43) | ALDH1A1CYP3A4CYP2C9LMNADYRK1A | |
| SCHEMBL10852959 | 0.72 | ALDH1A1 (0.50) | POLBALDH1A1SMN1; SMN2PKMTSHR | |
| Hydrochloric Acid SCHEMBL11555928 | 0.72 | EPHX1 (0.49) | SMN1; SMN2PKMCYP2C19EPHX1LMNA | |
| SCHEMBL10857088 | 0.72 | RECQL (0.40) | ALDH1A1CYP3A4CYP2C9HTT | |
| Hydrochloric Acid SCHEMBL11558867 | 0.72 | EPHX1 (0.49) | SMN1; SMN2PKMCYP2C19EPHX1LMNA | |
| SCHEMBL27564720 | 0.72 | POLB (0.45) | POLBALDH1A1SMN1; SMN2TSHR |
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-4565826-A | HYPOTENSIVE, CARDIONASCULAR, ANTIULCER, ANTISECRETORY, GASTROINTESTINAL DISORDERS | WILLIAM H. RORER, INC. (US) | 1986-01-21 | — | — | US | disclosed |
| US-4436911-A | HYPOTENSIVE, ANTISPASMODIC, ANTIULCER, ANTIPARASITIC | WILLIAM H. RORER, INC. (US) | 1984-03-13 | — | — | US | disclosed |