Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB2 | P05107 | 1/20 | 0.93 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.93 |
| ▸ | ITGAL | P20701 | 1/20 | 0.93 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.78 |
| ▸ | LMNA | P02545 | 2/20 | 0.78 |
| ▸ | CRHBP | P24387 | 2/20 | 0.78 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.78 |
| ▸ | HTT | P42858 | 1/20 | 0.78 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 4/20 | 0.47 |
| ▸ | MAOA | P21397 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29997436 | 0.97 | ITGB2 (1.00) | ITGB2ICAM1ITGALSMN1; SMN2LMNA | |
| SCHEMBL27796077 | 0.97 | ITGB2 (1.00) | ITGB2ICAM1ITGALSMN1; SMN2LMNA | |
| SCHEMBL6791411 | 0.97 | ITGB2 (1.00) | ITGB2ICAM1ITGALSMN1; SMN2LMNA | |
| SCHEMBL11399163 | 0.97 | ITGB2 (1.00) | ITGB2ICAM1ITGALSMN1; SMN2LMNA | |
| SCHEMBL11406989 | 0.97 | ITGB2 (1.00) | ITGB2ICAM1ITGALSMN1; SMN2LMNA | |
| SCHEMBL8518 | 0.97 | ITGB2 (1.00) | ITGB2ICAM1ITGALSMN1; SMN2LMNA | |
| SCHEMBL11519392 | 0.97 | ITGB2 (1.00) | ITGB2ICAM1ITGALSMN1; SMN2LMNA | |
| Methane SCHEMBL28630381 | 0.93 | ITGB2 (0.93) | ITGB2ICAM1ITGALSMN1; SMN2LMNA | |
| SCHEMBL28311086 | 0.93 | ITGB2 (0.93) | ITGB2ICAM1ITGALSMN1; SMN2LMNA | |
| SCHEMBL11557715 | 0.93 | ITGB2 (0.93) | ITGB2ICAM1ITGALSMN1; SMN2LMNA |
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-103965186-B | Benzodioxan-Ben Bing Evil (thiophene) azoles piperidine derivative and application thereof | JIANGSU NHWA PHARMACEUTICAL CO., LTD. (CN) | 2016-05-18 | — | — | CN | disclosed |