Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | CHKA | P35790 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | ADAM10 | O14672 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP4 | P49662 | 1/20 | 0.36 |
| ▸ | CASP5 | P51878 | 1/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9744353 | 0.80 | SIGMAR1 (0.47) | HRH3LTA4HRAB9AHPGDLMNA | |
| SCHEMBL447549 | 0.80 | SIGMAR1 (0.47) | HRH3LTA4HRAB9AHPGDLMNA | |
| Bromide SCHEMBL28805308 | 0.78 | SIGMAR1 (0.46) | HRH3LTA4HRAB9AHPGDLMNA | |
| SCHEMBL2982806 | 0.78 | TSHR (0.46) | HRH3LTA4HALDH1A1RAB9ALMNA | |
| SCHEMBL7546085 | 0.77 | CHRNB2 (0.57) | CYP1A2HRH3LTA4H | |
| Hydrochloric Acid SCHEMBL2978407 | 0.76 | LMNA (0.46) | HRH3LTA4HALDH1A1RAB9ALMNA | |
| SCHEMBL3995845 | 0.74 | IDO1 (0.47) | HRH3ALDH1A1RAB9AHPGD | |
| SCHEMBL15094370 | 0.74 | TSHR (0.46) | HRH3LTA4HALDH1A1 | |
| SCHEMBL6620777 | 0.72 | HRH3 (0.53) | HRH3LTA4HALDH1A1 | |
| SCHEMBL4697721 | 0.70 | HRH3 (0.51) | HRH3L3MBTL1ALDH1A1RAB9ALOXL2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0901480-A4 | PROCESS FOR PREPARING OXIRANEMETHANAMINE DERIVATIVES | BOEHRINGER INGELHEIM PHARMA (US) | 1999-11-24 | — | — | EP | disclosed |
| EP-0901480-A1 | PROCESS FOR PREPARING OXIRANEMETHANAMINE DERIVATIVES | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 1999-03-17 | — | — | EP | disclosed |
| WO-1997042180-A1 | PROCESS FOR PREPARING OXIRANEMETHANAMINE DERIVATIVES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1997-11-13 | — | — | WO | disclosed |