Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | ATM | Q13315 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14822756 | 0.81 | CYP3A4 (0.44) | KDM4EKMT2AMEN1BRD4POLB | |
| SCHEMBL31286288 | 0.79 | CYP19A1 (0.53) | KDM4EALDH1A1ATMKMT2ATDP1 | |
| SCHEMBL30047375 | 0.77 | ALDH1A1 (0.56) | KDM4EALDH1A1KMT2AMEN1BRD4 | |
| SCHEMBL7465706 | 0.77 | ALDH1A1 (0.56) | KDM4EALDH1A1KMT2AMEN1BRD4 | |
| SCHEMBL11538229 | 0.77 | KDM4E (0.53) | KDM4EALDH1A1ATMKMT2AMEN1 | |
| SCHEMBL31172610 | 0.76 | HTT (0.56) | KMT2AMEN1BRD4POLBHTT | |
| SCHEMBL4796526 | 0.75 | KDM4E (0.45) | KDM4EALDH1A1ATMKMT2AMEN1 | |
| SCHEMBL28206568 | 0.75 | CYP19A1 (0.53) | KDM4EALDH1A1ATMKMT2ATDP1 | |
| SCHEMBL27407526 | 0.75 | BRD4 (0.46) | KDM4EALDH1A1KMT2AMEN1TDP1 | |
| SCHEMBL3440019 | 0.74 | ALDH1A1 (0.65) | KDM4EALDH1A1ATMKMT2AMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105143220-B | Pyrazole derivatives | 豪夫迈·罗氏有限公司 | 2018-06-22 | — | — | CN | disclosed |
| CN-105143220-A | Novel pyrazole derivatives | HOFFMANN LA ROCHE | 2015-12-09 | — | — | CN | disclosed |