Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 7/20 | 0.43 |
| ▸ | ITGAV | P06756 | 5/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.41 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7163734 | 1.00 | ITGB3 (0.43) | ITGB3ITGAVNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7371562 | 0.93 | THRB (0.39) | ITGB3ITGAVNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7163873 | 0.90 | ITGB3 (0.47) | ITGB3ITGAVNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7164294 | 0.89 | TP53 (0.42) | ITGB3ITGAVSMN1; SMN2ALDH1A1TSHR | |
| SCHEMBL7161068 | 0.88 | ITGB3 (0.54) | ITGB3ITGAVNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL13191087 | 0.87 | ITGB3 (0.47) | ITGB3ITGAVNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7372792 | 0.86 | NPC1 (0.41) | ITGB3ITGAVNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7167848 | 0.86 | ITGB3 (0.49) | ITGB3ITGAVSMN1; SMN2ALDH1A1THRB | |
| SCHEMBL7159785 | 0.86 | ITGB3 (0.42) | ITGB3ITGAVSMN1; SMN2THRBTSHR | |
| SCHEMBL7161061 | 0.85 | ITGB3 (0.51) | ITGB3ITGAVNPC1RAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0964856-A1 | BICYCLIC AMINO ACIDS | MERCK PATENT GmbH (DE) | 1999-12-22 | — | — | EP | disclosed |
| WO-1998035949-A1 | BICYCLIC AMINO ACIDS | MERCK PATENT GMBH (DE) | 1998-08-20 | — | — | WO | disclosed |