Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 5/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | CHRNA1 | P02708 | 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 | |
|---|---|---|---|---|
| SCHEMBL9858191 | 0.71 | CYP1A1 (0.51) | ALDH1A1CYP1A2MAPTLMNACHRNA1 | |
| SCHEMBL122354 | 0.70 | HCAR2 (0.42) | BACE1KDM4ERAB9AALDH1A1HPGD | |
| SCHEMBL11107948 | 0.70 | LMNA (0.62) | KDM4ERAB9ANPC1ALDH1A1HPGD | |
| SCHEMBL11425945 | 0.68 | SLC6A2 (0.49) | BACE1KMT2AMAPTCHRNA1CHRNG | |
| SCHEMBL162478 | 0.66 | — | — | |
| SCHEMBL29441943 | 0.66 | — | — | |
| SCHEMBL22778252 | 0.66 | CYP11B2 (0.72) | KDM4ERAB9ANPC1ALDH1A1HPGD | |
| SCHEMBL2059681 | 0.66 | CYP11B2 (0.72) | KDM4ERAB9ANPC1ALDH1A1HPGD | |
| SCHEMBL29468041 | 0.66 | CYP11B2 (0.72) | KDM4ERAB9ANPC1ALDH1A1HPGD | |
| SCHEMBL15630861 | 0.66 | HCAR2 (0.39) | BACE1RAB9AALDH1A1SMN1; SMN2CYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0149115-A2 | Derivatives of 2-(1-imidazolyl)-ethanol | BOEHRINGER INGELHEIM KG (DE) | 1985-07-24 | — | — | EP | disclosed |