Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.58 |
| ▸ | GAA | P10253 | 3/20 | 0.58 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | PKM | P14618 | 3/20 | 0.49 |
| ▸ | GLA | P06280 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | ATM | Q13315 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.48 |
| ▸ | RELA | Q04206 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7848007 | 0.92 | ALDH1A1 (0.60) | ALDH1A1GAACA1CA2KDM4E | |
| SCHEMBL7203372 | 0.85 | RAB9A (0.64) | ALDH1A1GAAKDM4ERAB9APKM | |
| SCHEMBL7204246 | 0.81 | HTT (0.67) | ALDH1A1GAAKDM4ERAB9APKM | |
| SCHEMBL7962781 | 0.81 | ALDH1A1 (0.65) | ALDH1A1GAAKDM4ERAB9APKM | |
| SCHEMBL7202496 | 0.79 | KDM4E (0.70) | ALDH1A1GAACA1CA2KDM4E | |
| SCHEMBL7206095 | 0.79 | ALDH1A1 (0.60) | ALDH1A1GAACA1CA2KDM4E | |
| SCHEMBL7202706 | 0.78 | MAOB (0.60) | ALDH1A1GAACA1CA2KDM4E | |
| SCHEMBL7203467 | 0.77 | ALDH1A1 (0.60) | ALDH1A1GAACA1CA2KDM4E | |
| SCHEMBL7200428 | 0.76 | ALDH1A1 (0.68) | ALDH1A1GAACA1CA2KDM4E | |
| SCHEMBL7200572 | 0.76 | RAB9A (0.63) | ALDH1A1GAAKDM4ERAB9APKM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1104418-A2 | NEMATICIDAL PYRAZOLES | NIHON BAYER AGROCHEM K.K. (JP) | 2001-06-06 | — | — | EP | disclosed |
| WO-2000009500-A2 | NEMATICIDAL PYRAZOLES | NIHON BAYER AGROCHEM K.K. (JP) | 2000-02-24 | — | — | WO | disclosed |