Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 4/20 | 0.46 |
| ▸ | ITGAV | P06756 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL7099303 | 0.85 | KDM4E (0.43) | ITGB3ITGAVKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL7100980 | 0.80 | ITGB3 (0.42) | ITGB3ITGAVKDM4EPOLBMEN1 | |
| SCHEMBL7104747 | 0.80 | CTSA (0.42) | ITGB3ITGAVKDM4ECYP2C9CYP2C19 | |
| SCHEMBL7104880 | 0.80 | ITGB3 (0.43) | ITGB3ITGAVKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL7099306 | 0.69 | ITGB3 (0.51) | ITGB3ITGAVALDH1A1NPC1RAB9A | |
| SCHEMBL7345812 | 0.67 | BACE1 (0.47) | ITGB3ITGAVKDM4EALDH1A1PPARG | |
| SCHEMBL6778201 | 0.67 | ITGB3 (0.52) | ITGB3ITGAVITGA2B | |
| SCHEMBL9302810 | 0.67 | NPC1 (0.49) | KDM4ESMN1; SMN2POLBALDH1A1PPARG | |
| SCHEMBL7099318 | 0.66 | ITGB3 (0.42) | ITGB3ITGAVSMN1; SMN2ITGA2BCTSA | |
| SCHEMBL9303274 | 0.66 | PLAU (0.62) | KDM4ESMN1; SMN2POLBCYP2C9CYP2C19 |
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-6649613-B1 | Integrin inhibitors | MERCK PATENT GMBH (DE) | 2003-11-18 | — | — | US | disclosed |
| EP-1194401-B1 | DIACYLHYDRAZINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2003-09-10 | — | — | EP | disclosed |