Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.34 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9899292 | 0.75 | ALDH1A1 (0.41) | SMN1; SMN2ALDH1A1HPGDGLAALOX12 | |
| SCHEMBL5152089 | 0.74 | TAAR1 (0.38) | SMN1; SMN2ALDH1A1HPGDMAPTNPC1 | |
| SCHEMBL5874016 | 0.73 | ALDH1A1 (0.50) | SMN1; SMN2ALDH1A1HPGDGLAALOX12 | |
| SCHEMBL5855895 | 0.72 | ALDH1A1 (0.46) | SMN1; SMN2ALDH1A1HPGDGLAALOX12 | |
| SCHEMBL6435988 | 0.72 | TRPV1 (0.60) | ALDH1A1HPGDNPC1RAB9AMEN1 | |
| SCHEMBL7752152 | 0.71 | CYP1A2 (0.35) | SMN1; SMN2HPGDMAPTNPC1RAB9A | |
| SCHEMBL5941728 | 0.71 | TRPV1 (0.58) | NPC1RAB9AMTNR1AMTNR1BTP53 | |
| SCHEMBL6539895 | 0.70 | KMT2A (0.49) | SMN1; SMN2ALDH1A1HPGDGLAALOX12 | |
| SCHEMBL5149879 | 0.70 | PDK1 (0.37) | SMN1; SMN2ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL24826413 | 0.69 | KMT2A (0.46) | SMN1; SMN2ALDH1A1HPGDMTNR1AMTNR1B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1617807-A4 | SUBSTITUTED 1,4-DIAZEPINES AND USES THEREOF | ORTHO MCNEIL PHARM INC (US) | 2007-02-21 | — | — | EP | disclosed |
| EP-1617807-A2 | SUBSTITUTED 1,4-DIAZEPINES AND USES THEREOF | Ortho-McNeil Pharmaceuticals, Inc. (US) | 2006-01-25 | — | — | EP | disclosed |
| WO-2004096134-A2 | SUBSTITUTED 1,4-DIAZEPINES AND USES THEREOF | ORTHO-MCNEIL PHARMACEUTICALS, INC. (US) | 2004-11-11 | — | — | WO | disclosed |