Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.51 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.49 |
| ▸ | FBP1 | P09467 | 4/20 | 0.47 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | MAOB | P27338 | 3/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1157 | 0.83 | APP (0.61) | ALDH1A1CYP19A1VCAM1FBP1APP | |
| SCHEMBL3368024 | 0.81 | CYP19A1 (0.73) | ALDH1A1TDP1CYP19A1FBP1APP | |
| SCHEMBL3368036 | 0.81 | CYP19A1 (0.73) | ALDH1A1TDP1CYP19A1FBP1APP | |
| Ammonia Solution, Strong SCHEMBL28564961 | 0.81 | APP (0.59) | ALDH1A1CYP19A1VCAM1FBP1APP | |
| SCHEMBL28981615 | 0.81 | APP (0.59) | ALDH1A1CYP19A1FBP1APPHSD17B10 | |
| Hydrochloric Acid SCHEMBL29016137 | 0.81 | APP (0.59) | ALDH1A1CYP19A1FBP1APPHSD17B10 | |
| 3-Nitrobenzaldehyde SCHEMBL2181083 | 0.80 | CYP19A1 (0.57) | ALDH1A1TDP1CYP19A1VCAM1FBP1 | |
| Benzaldehyde SCHEMBL4022100 | 0.80 | ALDH1A1 (0.60) | ALDH1A1CYP19A1FBP1APPMAOB | |
| SCHEMBL2237049 | 0.79 | ALDH1A1 (0.47) | ALDH1A1TDP1CYP19A1VCAM1FBP1 | |
| Hydrazine SCHEMBL9322622 | 0.79 | APP (0.57) | ALDH1A1CYP19A1FBP1APPHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106133001-A | Compositions containing organo-borane and using method thereof | 3M创新有限公司 | 2016-11-16 | — | — | CN | disclosed |