Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACA | Q13085 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MPI | P34949 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TOP1 | P11387 | 1/20 | 0.40 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | PTGES | O14684 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13458896 | 0.94 | CYP1B1 (0.44) | ACACAALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL3693799 | 0.92 | CYP1B1 (0.45) | ACACAALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL13458815 | 0.87 | CYP1A1 (0.54) | ACACAALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL13458682 | 0.86 | CYP1A1 (0.49) | ACACAALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL184973 | 0.85 | CYP1A1 (0.56) | ACACAALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL29358046 | 0.85 | CYP1A1 (0.56) | ACACAALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL29373621 | 0.85 | CYP1A1 (0.56) | ACACAALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL3358457 | 0.85 | ACACA (0.50) | ACACAALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL17899330 | 0.85 | ACACA (0.50) | ACACAALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL3698074 | 0.85 | ACACA (0.50) | ACACAALDH1A1KDM4EMAPTHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2161272-A1 | Phenanthrolines | BASF SE (DE) | 2010-03-10 | — | — | EP | disclosed |