Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C2 | P52895 | 4/20 | 0.73 |
| ▸ | AKR1C1 | Q04828 | 4/20 | 0.73 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.73 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.73 |
| ▸ | KCNK2 | O95069 | 2/20 | 0.72 |
| ▸ | KCNK10 | P57789 | 2/20 | 0.72 |
| ▸ | MAPT | P10636 | 6/20 | 0.69 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.64 |
| ▸ | MEN1 | O00255 | 3/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.64 |
| ▸ | ABL1 | P00519 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.64 |
| ▸ | DHODH | Q02127 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | HTT | P42858 | 1/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | ACLY | P53396 | 1/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.57 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL6348852 | 0.95 | AKR1C2 (0.72) | AKR1C2AKR1C1AKR1C4AKR1C3KCNK2 | |
| SCHEMBL9513479 | 0.93 | MAPT (0.80) | AKR1C2AKR1C1AKR1C4AKR1C3KCNK2 | |
| SCHEMBL6360570 | 0.92 | KCNK2 (0.68) | AKR1C2AKR1C1AKR1C4AKR1C3KCNK2 | |
| SCHEMBL1307201 | 0.92 | KCNK2 (0.64) | AKR1C2AKR1C1AKR1C4AKR1C3KCNK2 | |
| SCHEMBL6350407 | 0.92 | KCNK2 (0.64) | AKR1C2AKR1C1AKR1C4AKR1C3KCNK2 | |
| SCHEMBL6353351 | 0.91 | SERPINE1 (0.71) | AKR1C2AKR1C1AKR1C4AKR1C3KCNK2 | |
| SCHEMBL6357922 | 0.91 | MAPT (0.81) | AKR1C2AKR1C1AKR1C4AKR1C3KCNK2 | |
| SCHEMBL17166040 | 0.91 | MEN1 (0.68) | AKR1C2AKR1C1AKR1C4AKR1C3KCNK2 | |
| SCHEMBL20512990 | 0.91 | SERPINE1 (0.66) | AKR1C2AKR1C1AKR1C4AKR1C3KCNK2 | |
| SCHEMBL6353673 | 0.90 | KCNK2 (0.62) | AKR1C2AKR1C1AKR1C4AKR1C3KCNK2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9155792-B2 | RecA inhibitors with antibiotic activity, compositions and methods of use | TRUSTEES OF BOSTON UNIVERSITY (US) | 2015-10-13 | — | — | US | disclosed |