Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | MPO | P05164 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | LTA4H | P09960 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | CSF1R | P07333 | 2/20 | 0.42 |
| ▸ | NTRK2 | Q16620 | 2/20 | 0.42 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.42 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28362008 | 0.86 | ALDH1A1 (0.50) | ALDH1A1CYP2D6ATMNPC1RAB9A | |
| SCHEMBL23045757 | 0.86 | ALDH1A1 (0.58) | ALDH1A1CYP2D6ATMNPC1RAB9A | |
| Ammonia Solution, Strong SCHEMBL2450875 | 0.84 | ALDH1A1 (0.53) | ALDH1A1CYP2D6ATMNPC1RAB9A | |
| Ammonia Solution, Strong SCHEMBL25279198 | 0.84 | ALDH1A1 (0.56) | ALDH1A1CYP2D6ATMNPC1RAB9A | |
| SCHEMBL28334222 | 0.83 | CSF1R (0.67) | NPC1RAB9ACSF1RNTRK2NTRK1 | |
| SCHEMBL30368088 | 0.83 | CSF1R (0.67) | NPC1RAB9ACSF1RNTRK2NTRK1 | |
| SCHEMBL9536189 | 0.81 | NOS2 (0.47) | ALDH1A1NPC1RAB9ALTA4HSMN1; SMN2 | |
| SCHEMBL9391619 | 0.81 | NPC1 (0.61) | ALDH1A1CYP2D6ATMNPC1RAB9A | |
| SCHEMBL7000300 | 0.80 | KCNH2 (0.42) | ALDH1A1MPODHFR | |
| SCHEMBL31279567 | 0.80 | MPO (0.47) | ALDH1A1CYP2D6ATMNPC1RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117946138-A | And ring nitrogen-containing compound, intermediate thereof, preparation method and application | 杭州圣域生物医药科技有限公司 | 2024-04-30 | — | — | CN | disclosed |
| EP-0151826-B1 | 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-03-31 | — | — | EP | disclosed |
| EP-0151826-A1 | 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1985-08-21 | — | — | EP | disclosed |