Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | KLK6 | Q92876 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10670257 | 0.81 | LMNA (0.48) | ALDH1A1LMNAKDM4EL3MBTL1CYP2D6 | |
| SCHEMBL10839545 | 0.81 | MEN1 (0.49) | ALDH1A1SMN1; SMN2LMNAHTTCYP2D6 | |
| SCHEMBL10671458 | 0.79 | CYP2D6 (0.43) | ALDH1A1SMN1; SMN2KDM4EL3MBTL1CYP2D6 | |
| SCHEMBL10663277 | 0.77 | LMNA (0.48) | ALDH1A1SMN1; SMN2LMNAHTTKDM4E | |
| SCHEMBL10663268 | 0.76 | SMN1; SMN2 (0.49) | ALDH1A1SMN1; SMN2LMNAHTTKDM4E | |
| SCHEMBL10838540 | 0.74 | SMN1; SMN2 (0.56) | ALDH1A1SMN1; SMN2LMNAHTTKDM4E | |
| SCHEMBL10670001 | 0.69 | HIF1A (0.47) | LMNAKDM4ECYP2D6CYP1A2CYP3A4 | |
| SCHEMBL25555025 | 0.69 | KDM4E (0.68) | ALDH1A1SMN1; SMN2LMNAKDM4EL3MBTL1 | |
| SCHEMBL25555115 | 0.69 | KDM4E (0.68) | ALDH1A1SMN1; SMN2LMNAKDM4EL3MBTL1 | |
| SCHEMBL10669673 | 0.69 | HIF1A (0.38) | ALDH1A1SMN1; SMN2LMNAKDM4ECYP2D6 |
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-4721717-A | α-(aminoalkylaminomethyl)phenylmethanols, composition containing them, and use thereof to treat certain heart and circulatory diseases | BOEHRINGER MANNHEIM GMBH (DE) | 1988-01-26 | — | — | US | disclosed |
| EP-0171689-B1 | AMINOALCOHOLS, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE COMPOUNDS AND INTERMEDIATES | Roche Diagnostics GmbH (DE) | 1987-11-11 | — | — | EP | disclosed |