Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.44 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.38 |
| ▸ | PARP16 | Q8N5Y8 | 2/20 | 0.38 |
| ▸ | PARP3 | Q9Y6F1 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL20993365 | 0.86 | ALDH1A1 (0.44) | ALDH1A1KMT2ARAB9AMAPTNPC1 | |
| SCHEMBL20993213 | 0.86 | ALDH1A1 (0.44) | ALDH1A1KMT2ARAB9AMAPTNPC1 | |
| SCHEMBL18150679 | 0.74 | CRBN (0.58) | ALDH1A1KMT2ARAB9AMAPTNPC1 | |
| SCHEMBL10041515 | 0.73 | NOS1 (0.49) | ALDH1A1KMT2AMAPTKDM4EGFER | |
| SCHEMBL2199447 | 0.73 | NOS1 (0.49) | ALDH1A1KMT2AMAPTKDM4EGFER | |
| SCHEMBL1439472 | 0.72 | ALDH1A1 (0.42) | ALDH1A1KMT2ARAB9AMAPTNPC1 | |
| SCHEMBL1440419 | 0.72 | ALDH1A1 (0.42) | ALDH1A1KMT2ARAB9AMAPTNPC1 | |
| SCHEMBL23745244 | 0.71 | DDB1 (0.51) | ALDH1A1KMT2ARAB9AMAPTNPC1 | |
| SCHEMBL2563428 | 0.71 | DDB1 (0.51) | ALDH1A1KMT2ARAB9AMAPTNPC1 | |
| SCHEMBL16268284 | 0.71 | DDB1 (0.44) | ALDH1A1KMT2ARAB9AMAPTNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018011160-A1 | 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES | F. HOFFMANN-LA ROCHE AG (CH) | 2018-01-18 | — | — | WO | disclosed |
| EP-1765793-B1 | ANACETRAPIB AND OTHER CETP INHIBITPRS | MERCK SHARP & DOHME (US) | 2012-09-26 | — | — | EP | disclosed |
| EP-2415759-A1 | CETP inhibitors | Merck Sharp & Dohme Corporation (US) | 2012-02-08 | — | — | EP | disclosed |