Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | GFER | P55789 | 1/20 | 0.52 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.52 |
| ▸ | MCL1 | Q07820 | 5/20 | 0.49 |
| ▸ | RXRA | P19793 | 1/20 | 0.48 |
| ▸ | RXRB | P28702 | 1/20 | 0.48 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.47 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | THRB | P10828 | 2/20 | 0.46 |
| ▸ | RECQL | P46063 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL13979801 | 0.82 | KDM4E (0.53) | TDP1KDM4EKMT2AMEN1GFER | |
| SCHEMBL27786187 | 0.82 | PTPN1 (0.58) | MCL1AKR1C2AKR1C1ALDH1A1ALOX15 | |
| SCHEMBL28201908 | 0.81 | RXFP1 (0.51) | TDP1KDM4EKMT2AMEN1RXFP1 | |
| SCHEMBL27808113 | 0.81 | BCL2L1 (0.53) | KDM4EKMT2AMEN1GFERRXFP1 | |
| SCHEMBL28026029 | 0.81 | AKR1C2 (0.56) | KDM4EMCL1RXRARXRBAKR1C2 | |
| SCHEMBL28201899 | 0.80 | MCL1 (0.66) | TDP1KDM4EKMT2AMEN1GFER | |
| SCHEMBL28201887 | 0.79 | RXRA (0.55) | TDP1KDM4EKMT2AMEN1GFER | |
| SCHEMBL2806484 | 0.79 | KDM4E (0.79) | TDP1KDM4EKMT2AMEN1GFER | |
| SCHEMBL30030661 | 0.78 | KDM4E (0.84) | TDP1KDM4EKMT2AMEN1GFER | |
| SCHEMBL1708790 | 0.78 | KDM4E (0.84) | TDP1KDM4EKMT2AMEN1GFER |
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-105164113-B | Pyrroloamide inhibitors | 艾伯维公司 | 2018-03-02 | — | — | CN | claimed |
| CN-105164113-B | Pyrroloamide inhibitors | 艾伯维公司 | 2018-03-02 | — | — | CN | disclosed |