Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 3/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.35 |
| ▸ | CHRNG | P07510 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6316631 | 0.82 | PGR (0.47) | SIGMAR1KDM1APGRHDAC9MEN1 | |
| SCHEMBL9906167 | 0.77 | KDM1A (0.49) | SIGMAR1KDM1APGRHDAC9 | |
| SCHEMBL5796055 | 0.73 | HDAC9 (0.50) | SIGMAR1KDM1APGRHDAC9CYP17A1 | |
| SCHEMBL19130584 | 0.73 | HDAC9 (0.50) | SIGMAR1KDM1APGRHDAC9CYP17A1 | |
| SCHEMBL4133169 | 0.73 | CYP3A4 (0.58) | SIGMAR1KDM1APGRCYP17A1CYP3A4 | |
| SCHEMBL19027860 | 0.71 | CHRNA1 (0.40) | MEN1KMT2AGAASMN1; SMN2ALDH1A1 | |
| SCHEMBL12619958 | 0.71 | CHRNA1 (0.40) | MEN1KMT2AGAASMN1; SMN2ALDH1A1 | |
| SCHEMBL8865370 | 0.71 | OPRM1 (0.49) | SIGMAR1KDM1AMEN1KMT2ACYP3A4 | |
| SCHEMBL13599735 | 0.70 | PGR (0.49) | KDM1APGRMEN1CYP17A1CYP3A4 | |
| SCHEMBL7321561 | 0.70 | SIGMAR1 (0.51) | SIGMAR1KDM1ACYP3A4CYP11B1CYP11B2 |
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-1082121-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2003-02-05 | — | — | EP | disclosed |
| US-6380249-B1 | HIV integrase inhibitors | MERCK & CO., INC. | 2002-04-30 | — | — | US | disclosed |
| EP-1082121-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2001-03-14 | — | — | EP | disclosed |
| WO-1999062520-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | disclosed |