Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | FDPS | P14324 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL9788434 | 1.00 | ALDH1A1 (0.55) | ALDH1A1CYP3A4RAB9AATMKMT2A | |
| SCHEMBL9788444 | 0.85 | ALDH1A1 (0.46) | ALDH1A1CYP3A4RAB9AKMT2AHTT | |
| SCHEMBL9788442 | 0.85 | ALDH1A1 (0.46) | ALDH1A1CYP3A4RAB9AKMT2AHTT | |
| SCHEMBL9788457 | 0.83 | KMT2A (0.52) | ALDH1A1CYP3A4RAB9AATMKMT2A | |
| SCHEMBL9443025 | 0.79 | ALDH1A1 (0.56) | ALDH1A1CYP3A4RAB9AATMKMT2A | |
| SCHEMBL9443020 | 0.79 | ALDH1A1 (0.56) | ALDH1A1CYP3A4RAB9AATMKMT2A | |
| SCHEMBL9443155 | 0.79 | ALDH1A1 (0.56) | ALDH1A1CYP3A4RAB9AATMKMT2A | |
| SCHEMBL9788441 | 0.78 | CYP3A4 (0.38) | ALDH1A1CYP3A4RAB9AKMT2AHTT | |
| SCHEMBL9788445 | 0.76 | CYP3A4 (0.35) | ALDH1A1CYP3A4KMT2ACYP1A2HSP90AA1 | |
| SCHEMBL9788443 | 0.76 | CYP3A4 (0.35) | ALDH1A1CYP3A4KMT2ACYP1A2HSP90AA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5041459-A | Plant diseases; protection of industrial materials | BAYER AKTIENGESELLSCHAFT (DE) | 1991-08-20 | — | — | US | claimed |
| US-5041459-A | Plant diseases; protection of industrial materials | BAYER AKTIENGESELLSCHAFT (DE) | 1991-08-20 | — | — | US | disclosed |
| EP-0405264-A1 | Hydroxy-keto-azoles | BAYER AG (DE) | 1991-01-02 | — | — | EP | disclosed |