Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | FDPS | P14324 | 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 | |
|---|---|---|---|---|
| SCHEMBL950886 | 0.89 | ALDH1A1 (0.50) | ALDH1A1CYP3A4MAPTSMN1; SMN2HSP90AA1 | |
| SCHEMBL12870569 | 0.89 | ALDH1A1 (0.50) | ALDH1A1CYP3A4MAPTSMN1; SMN2HSP90AA1 | |
| SCHEMBL269849 | 0.89 | ALDH1A1 (0.66) | ALDH1A1CYP3A4MAPTSMN1; SMN2HSP90AA1 | |
| SCHEMBL10361043 | 0.88 | HSP90AA1 (0.52) | ALDH1A1CYP3A4MAPTSMN1; SMN2HSP90AA1 | |
| SCHEMBL10461548 | 0.88 | CYP3A4 (0.42) | ALDH1A1CYP3A4MAPTSMN1; SMN2HSP90AA1 | |
| SCHEMBL10545905 | 0.86 | MAPT (0.58) | ALDH1A1CYP3A4MAPTSMN1; SMN2HSP90AA1 | |
| SCHEMBL10747186 | 0.85 | ALDH1A1 (0.47) | ALDH1A1CYP3A4MAPTSMN1; SMN2HSP90AA1 | |
| SCHEMBL10977130 | 0.85 | ALDH1A1 (0.43) | ALDH1A1CYP3A4MAPTSMN1; SMN2HSP90AA1 | |
| SCHEMBL10746965 | 0.83 | ALDH1A1 (0.46) | ALDH1A1CYP3A4MAPTSMN1; SMN2HSP90AA1 | |
| SCHEMBL10746775 | 0.83 | ALDH1A1 (0.46) | ALDH1A1CYP3A4MAPTSMN1; SMN2HSP90AA1 |
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-4897107-A | PLANT GROWTH REGULATORS; FUNGICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1990-01-30 | — | — | US | claimed |
| EP-0085843-B1 | ANTIMYCOSIC AGENT | BAYER AG (DE) | 1985-09-04 | — | — | EP | disclosed |
| EP-0085843-A1 | Antimycosic agent | BAYER AG (DE) | 1983-08-17 | — | — | EP | disclosed |