Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | GRN | P28799 | 1/20 | 0.38 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9023287 | 0.91 | CYP3A4 (0.51) | CYP3A4KMT2AMEN1MAPTCYP19A1 | |
| SCHEMBL9862847 | 0.85 | CYP3A4 (0.55) | CYP3A4KMT2AMEN1MAPTCYP19A1 | |
| SCHEMBL11075839 | 0.82 | CYP3A4 (0.49) | CYP3A4KMT2AMEN1MAPTCYP19A1 | |
| SCHEMBL11075842 | 0.82 | CYP3A4 (0.49) | CYP3A4KMT2AMEN1MAPTCYP19A1 | |
| SCHEMBL9023256 | 0.80 | MAPT (0.48) | CYP3A4KMT2AMEN1MAPTCYP19A1 | |
| SCHEMBL10733485 | 0.80 | MAPT (0.60) | CYP3A4KMT2AMEN1MAPTCYP19A1 | |
| SCHEMBL5364455 | 0.79 | MAPT (0.77) | CYP3A4KMT2AMEN1MAPTCYP19A1 | |
| SCHEMBL10727541 | 0.78 | MAPT (0.79) | CYP3A4KMT2AMEN1MAPTCYP19A1 | |
| SCHEMBL10799731 | 0.77 | CYP19A1 (0.48) | CYP3A4KMT2AMEN1MAPTCYP19A1 | |
| SCHEMBL10362204 | 0.76 | MAPT (0.61) | CYP3A4KMT2AMEN1MAPTCYP19A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0301393-B1 | 1,4-DISUBSTITUTED 1-AZOLYL-3,3-DYMETHYLBUTANE DERIVATIVES | BAYER AG (DE) | 1991-08-14 | — | — | EP | disclosed |
| US-4968712-A | PHYTOPATHOGENS, AGRICULTURE | BAYER AKTIENGESELLSCHAFT (DE) | 1990-11-06 | — | — | US | disclosed |
| EP-0301393-A1 | 1,4-Disubstituted 1-azolyl-3,3-dymethylbutane derivatives | BAYER AG (DE) | 1989-02-01 | — | — | EP | disclosed |