Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CASP1 | P29466 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22219857 | 0.77 | HDAC4 (0.39) | CYP3A4ALDH1A1TDP1CA1CA2 | |
| SCHEMBL9912493 | 0.74 | TDP1 (0.42) | CYP3A4RECQLALDH1A1TDP1KDM4E | |
| SCHEMBL925856 | 0.74 | CYP3A4 (0.46) | CYP3A4CASP1RECQLBACE1ALDH1A1 | |
| SCHEMBL18757473 | 0.73 | CYP3A4 (0.41) | CYP3A4CASP1RECQLBACE1ALDH1A1 | |
| SCHEMBL19931108 | 0.73 | CYP3A4 (0.41) | CYP3A4CASP1RECQLBACE1ALDH1A1 | |
| SCHEMBL29671351 | 0.70 | — | — | |
| SCHEMBL112315 | 0.70 | — | — | |
| SCHEMBL29436321 | 0.69 | CYP3A4 (0.58) | CYP3A4CASP1RECQLALDH1A1TDP1 | |
| SCHEMBL34540 | 0.69 | CYP3A4 (0.58) | CYP3A4CASP1RECQLALDH1A1TDP1 | |
| SCHEMBL125522 | 0.69 | CYP3A4 (0.58) | CYP3A4CASP1RECQLALDH1A1TDP1 |
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-2017066428-A1 | BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS | H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) | 2017-04-20 | — | — | WO | disclosed |