Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MITF | O75030 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.37 |
| ▸ | CHKA | P35790 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL31130749 | 1.00 | CYP2D6 (0.47) | CYP2D6CYP2C19ALDH1A1SMN1; SMN2KDM4E | |
| Bromide SCHEMBL571679 | 0.98 | CYP2D6 (0.46) | CYP2D6CYP2C19ALDH1A1SMN1; SMN2KDM4E | |
| Bromide SCHEMBL6697756 | 0.98 | CYP2D6 (0.46) | CYP2D6CYP2C19ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL10333361 | 0.86 | CYP2D6 (0.39) | CYP2D6CYP2C19ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL25262661 | 0.84 | KDM4E (0.42) | CYP2D6CYP2C19ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL25282130 | 0.80 | ACHE (0.49) | ALDH1A1SMN1; SMN2KDM4EHTTNPC1 | |
| Bromide SCHEMBL11799324 | 0.78 | ALDH1A1 (0.37) | CYP2D6CYP2C19ALDH1A1SMN1; SMN2HPGD | |
| Benzene SCHEMBL9542509 | 0.76 | KDM4E (0.42) | CYP2D6CYP2C19ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL19504336 | 0.75 | MAOA (0.40) | KDM4ELMNACHKACHKB | |
| Hydrochloric Acid SCHEMBL11363136 | 0.74 | KDM4E (0.47) | CYP2D6CYP2C19ALDH1A1SMN1; SMN2KDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1254133-B9 | INDOL-3-YL DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS | MERCK PATENT GMBH (DE) | 2005-09-07 | — | — | EP | disclosed |
| EP-1254133-B1 | INDOL-3-YL DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS | MERCK PATENT GMBH (DE) | 2005-04-20 | — | — | EP | disclosed |
| EP-1254133-A2 | INDOL-3-YL DERIVATIVES | MERCK PATENT GmbH (DE) | 2002-11-06 | — | — | EP | disclosed |
| WO-2001058893-A2 | INDOL-3-YL DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS | MERCK PATENT GMBH (DE) | 2001-08-16 | — | — | WO | disclosed |