Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 8/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.39 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL12677932 | 0.81 | HCAR2 (0.56) | ALDH1A1RAB9ANPC1KDM4EHPGD | |
| SCHEMBL2570942 | 0.81 | ALDH1A1 (0.42) | ALDH1A1RAB9ANPC1KDM4EHPGD | |
| SCHEMBL7264199 | 0.80 | HCAR2 (0.37) | ALDH1A1RAB9ANPC1HPGDLMNA | |
| SCHEMBL3208200 | 0.74 | — | — | |
| SCHEMBL21963019 | 0.72 | CDC7 (0.57) | ALDH1A1KDM4EHPGDLMNAMAPT | |
| SCHEMBL4297402 | 0.71 | — | — | |
| SCHEMBL28322738 | 0.71 | ALDH1A1 (0.62) | ALDH1A1RAB9ANPC1KDM4EHPGD | |
| SCHEMBL4292895 | 0.71 | HCAR2 (0.42) | ALDH1A1RAB9ANPC1KDM4EHPGD | |
| SCHEMBL12725737 | 0.69 | PDE10A (0.50) | ALDH1A1RAB9ANPC1KDM4ELMNA | |
| SCHEMBL7264808 | 0.69 | POLB (0.44) | ALDH1A1RAB9ANPC1KDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003029231-A1 | NEMATICIDAL TRIFLUOROBUTENE DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2003-04-10 | — | — | WO | disclosed |