Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | CASP1 | P29466 | 2/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL63148 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL28131976 | 0.89 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TSHRCASP1RECQL | |
| Water SCHEMBL27324157 | 0.89 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TSHRCASP1RECQL | |
| Hydrochloric Acid SCHEMBL2351290 | 0.89 | CYP3A4 (0.50) | ALDH1A1CYP3A4TSHRCASP1RECQL | |
| Hydrochloric Acid SCHEMBL3077514 | 0.89 | CYP3A4 (0.50) | ALDH1A1CYP3A4TSHRCASP1RECQL | |
| Methylamine SCHEMBL28176622 | 0.84 | ALDH1A1 (0.57) | ALDH1A1CYP3A4TSHRCASP1RECQL | |
| SCHEMBL9402959 | 0.80 | CYP3A4 (0.44) | ALDH1A1CYP3A4TSHRCASP1RECQL | |
| Methyl Alcohol SCHEMBL29286780 | 0.80 | ALDH1A1 (0.53) | ALDH1A1CYP3A4TSHRCASP1RECQL | |
| SCHEMBL6086474 | 0.77 | — | — | |
| SCHEMBL178488 | 0.74 | — | — |
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-7834212-B2 | Lightweight, and has a highly developed pore structure,good gas absorbability; by dehydrogenating a compound having two or more amine-borane adduct | NIPPON OIL CORPORATION (JP) | 2010-11-16 | — | — | US | disclosed |
| US-20080095684-A1 | Lightweight, and has a highly developed pore structure,good gas absorbability; by dehydrogenating a compound having two or more amine-borane adduct | NIPPON OIL CORPORATION (JP) | 2008-04-24 | — | — | US | disclosed |