Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | CNR2 | P34972 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | CXCR6 | O00574 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL26185597 | 1.00 | NPC1 (0.40) | NPC1RAB9ALMNAALDH1A1CNR2 | |
| SCHEMBL29700405 | 0.91 | NPC1 (0.41) | NPC1RAB9ALMNAALDH1A1CNR2 | |
| SCHEMBL26185598 | 0.91 | NPC1 (0.41) | NPC1RAB9ALMNAALDH1A1CNR2 | |
| SCHEMBL24478841 | 0.90 | NPC1 (0.44) | NPC1RAB9ALMNAALDH1A1CNR2 | |
| SCHEMBL26185570 | 0.89 | NPC1 (0.41) | NPC1RAB9ALMNAALDH1A1CNR2 | |
| SCHEMBL29700429 | 0.89 | NPC1 (0.41) | NPC1RAB9ALMNAALDH1A1CNR2 | |
| SCHEMBL29700425 | 0.82 | NPC1 (0.43) | NPC1RAB9ALMNAALDH1A1CNR2 | |
| SCHEMBL26185602 | 0.82 | NPC1 (0.43) | NPC1RAB9ALMNAALDH1A1CNR2 | |
| SCHEMBL30505271 | 0.82 | PTGES (0.39) | ALDH1A1POLBKDM4EGLAKMT2A | |
| SCHEMBL26225717 | 0.82 | PTGES (0.39) | ALDH1A1POLBKDM4EGLAKMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4251615-B1 | SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | HOFFMANN LA ROCHE (CH) | 2025-10-15 | — | — | EP | claimed |
| EP-4251615-A1 | SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. Hoffmann-La Roche AG (CH) | 2023-10-04 | — | — | EP | claimed |
| WO-2022112188-A1 | SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. HOFFMANN-LA ROCHE AG (CH) | 2022-06-02 | — | — | WO | claimed |
| EP-4251615-A1 | SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. Hoffmann-La Roche AG (CH) | 2023-10-04 | — | — | EP | disclosed |
| WO-2022112188-A1 | SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. HOFFMANN-LA ROCHE AG (CH) | 2022-06-02 | — | — | WO | disclosed |