Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11538629 | 0.96 | TSHR (0.41) | TSHRCYP19A1ALDH1A1CYP3A4LMNA | |
| SCHEMBL11534485 | 0.92 | CYP19A1 (0.42) | CYP19A1ALDH1A1LMNAKMT2AMEN1 | |
| SCHEMBL11535483 | 0.90 | CYP19A1 (0.45) | TSHRCYP19A1ALDH1A1CYP3A4LMNA | |
| SCHEMBL11536619 | 0.88 | TSHR (0.45) | TSHRCYP19A1ALDH1A1CYP3A4LMNA | |
| SCHEMBL11536568 | 0.87 | LMNA (0.44) | TSHRCYP19A1LMNAKMT2AMEN1 | |
| SCHEMBL11534144 | 0.86 | CYP19A1 (0.54) | TSHRCYP19A1CYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL11535926 | 0.83 | KMT2A (0.51) | TSHRCYP19A1ALDH1A1CYP3A4LMNA | |
| SCHEMBL11536335 | 0.82 | CYP19A1 (0.44) | CYP19A1CYP3A4LMNAKMT2AHSP90AA1 | |
| SCHEMBL11531656 | 0.82 | MEN1 (0.44) | TSHRCYP19A1ALDH1A1LMNAKMT2A | |
| SCHEMBL11532267 | 0.82 | CYP19A1 (0.37) | TSHRCYP19A1ALDH1A1LMNAHSP90AA1 |
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-4140782-A | Combating fungi and nematodes with diphenyl-triazolyl-methanes | BAYER AKTIENGESELLSCHAFT (DE) | 1979-02-20 | — | — | US | disclosed |