Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.79 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL10971944 | 0.76 | ALDH1A1 (0.69) | ALDH1A1NPC1RAB9APOLBCYP2C19 | |
| SCHEMBL13814466 | 0.76 | ALDH1A1 (0.69) | ALDH1A1NPC1RAB9APOLBCYP2C19 | |
| SCHEMBL16072797 | 0.74 | ALDH1A1 (0.67) | ALDH1A1NPC1RAB9APOLBCYP2C19 | |
| SCHEMBL11069089 | 0.74 | — | — | |
| SCHEMBL9703552 | 0.72 | — | — | |
| SCHEMBL6897277 | 0.70 | ALDH1A1 (0.61) | ALDH1A1NPC1RAB9APOLBCYP2C19 | |
| SCHEMBL10671936 | 0.70 | ALDH1A1 (0.58) | ALDH1A1NPC1RAB9APOLBCYP2C19 | |
| SCHEMBL10675454 | 0.69 | ALDH1A1 (0.56) | ALDH1A1NPC1RAB9APOLBCYP2C19 | |
| SCHEMBL10969904 | 0.66 | ALDH1A1 (0.58) | ALDH1A1LMNASMN1; SMN2TP53GAA | |
| SCHEMBL21916114 | 0.66 | ALDH1A1 (0.59) | ALDH1A1KMT2ALMNAHTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0151826-B1 | 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-03-31 | — | — | EP | disclosed |
| US-4839374-A | TREATING ALLERGIES | JANSSEN PHARMACEUTICA, N.V. (BE) | 1989-06-13 | — | — | US | disclosed |
| US-4695575-A | ANTIHISTAMINES | JANSSEN PHARMACEUTICA, N.V. (BE) | 1987-09-22 | — | — | US | disclosed |
| EP-0151826-A1 | 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1985-08-21 | — | — | EP | disclosed |