Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | KCNJ6 | P48051 | 2/20 | 0.35 |
| ▸ | KCNJ3 | P48549 | 2/20 | 0.35 |
| ▸ | GSTO1 | P78417 | 2/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.33 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.33 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.33 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.33 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4665197 | 0.72 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2KCNJ6KCNJ3GSTO1 | |
| SCHEMBL18584927 | 0.69 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2KCNJ6KCNJ3GSTO1 | |
| SCHEMBL24478481 | 0.69 | MCL1 (0.50) | ALDH1A1SMN1; SMN2MCL1POLBHTT | |
| SCHEMBL28762146 | 0.66 | TRPV4 (0.50) | KCNJ6KCNJ3TRPV4MAPTLMNA | |
| SCHEMBL29385278 | 0.65 | MCL1 (0.59) | ALDH1A1SMN1; SMN2MCL1POLBHTT | |
| SCHEMBL27642658 | 0.65 | MEN1 (0.51) | ALDH1A1SMN1; SMN2GSTO1POLBHTT | |
| SCHEMBL5515234 | 0.65 | MCL1 (0.59) | ALDH1A1SMN1; SMN2MCL1POLBHTT | |
| SCHEMBL29467302 | 0.64 | MCL1 (0.59) | ALDH1A1SMN1; SMN2MCL1POLBHTT | |
| SCHEMBL10678326 | 0.64 | MCL1 (0.51) | ALDH1A1SMN1; SMN2KCNJ6KCNJ3MCL1 | |
| SCHEMBL9868506 | 0.63 | TSHR (0.39) | ALDH1A1GSTO1MAPTLMNA |
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-4994612-A | Intermediates for dihydropyridine derivatives | HOFFMANN-LA ROCHE INC. (US) | 1991-02-19 | — | — | US | disclosed |
| US-4847273-A | CARDIOVASCULAR DISORDERS | HOFFMANN-LA ROCHE INC. (US) | 1989-07-11 | — | — | US | disclosed |