Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.49 |
| ▸ | NPC1 | O15118 | 5/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2790591 | 0.85 | KDM4E (0.45) | KMT2ANPC1RAB9AMEN1GAA | |
| SCHEMBL18940540 | 0.81 | ALDH1A1 (0.53) | KMT2ANPC1RAB9AMEN1GAA | |
| SCHEMBL16770470 | 0.81 | ALDH1A1 (0.53) | KMT2ANPC1RAB9AMEN1GAA | |
| SCHEMBL7813527 | 0.77 | ALDH1A1 (0.57) | KMT2ANPC1RAB9AMEN1GAA | |
| SCHEMBL9768781 | 0.72 | CYP19A1 (0.47) | NPC1RAB9AGAAMAPTCYP3A4 | |
| SCHEMBL9796184 | 0.72 | KDM4E (0.55) | KMT2ANPC1MEN1GAAMAPT | |
| SCHEMBL9796180 | 0.72 | KDM4E (0.55) | KMT2ANPC1MEN1GAAMAPT | |
| Hydrochloric Acid SCHEMBL10806635 | 0.70 | KDM4E (0.54) | KMT2ANPC1MEN1GAAMAPT | |
| Hydrochloric Acid SCHEMBL10806630 | 0.70 | KDM4E (0.54) | KMT2ANPC1MEN1GAAMAPT | |
| SCHEMBL27614808 | 0.70 | CTSL (0.59) | KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010111634-A2 | RENIN INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-09-30 | — | — | WO | disclosed |