Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HTR1B | P28222 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23696581 | 1.00 | KDM4E (0.37) | KDM4EPOLBTDP1TSHRRECQL | |
| SCHEMBL21106548 | 1.00 | KDM4E (0.37) | KDM4EPOLBTDP1TSHRRECQL | |
| SCHEMBL23945631 | 0.92 | TSHR (0.33) | KDM4EPOLBTDP1TSHRRECQL | |
| SCHEMBL24673657 | 0.85 | KDM4E (0.38) | KDM4EPOLBTDP1TSHRRECQL | |
| SCHEMBL18773530 | 0.85 | KDM4E (0.38) | KDM4EPOLBTDP1TSHRRECQL | |
| SCHEMBL19749146 | 0.85 | KDM4E (0.38) | KDM4EPOLBTDP1TSHRRECQL | |
| SCHEMBL23560010 | 0.85 | KDM4E (0.40) | KDM4EPOLBTDP1CYP1A2CYP2D6 | |
| SCHEMBL22526313 | 0.85 | KDM4E (0.40) | KDM4EPOLBTDP1CYP1A2CYP2D6 | |
| SCHEMBL21106546 | 0.85 | KDM4E (0.40) | KDM4EPOLBTDP1CYP1A2CYP2D6 | |
| SCHEMBL12582124 | 0.85 | KDM4E (0.40) | KDM4EPOLBTDP1CYP1A2CYP2D6 |
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-2017091673-A2 | BIVALENT BROMODOMAIN INHIBTORS AND USES THEREOF | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2017-06-01 | — | — | WO | disclosed |