Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | FBP1 | P09467 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 2/20 | 0.39 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.39 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL2045441 | 0.81 | CYP2A6 (0.44) | SMN1; SMN2KDM4EALDH1A1RAB9ARXFP1 | |
| SCHEMBL461848 | 0.79 | SMN1; SMN2 (0.56) | SMN1; SMN2KDM4EALDH1A1RAB9ARXFP1 | |
| SCHEMBL1612695 | 0.78 | MEN1 (0.51) | SMN1; SMN2KDM4EALDH1A1S1PR3S1PR1 | |
| SCHEMBL1612693 | 0.78 | MEN1 (0.51) | SMN1; SMN2KDM4EALDH1A1S1PR3S1PR1 | |
| SCHEMBL1613623 | 0.76 | S1PR3 (0.47) | KDM4EALDH1A1RAB9ACYP1A2CYP2C9 | |
| SCHEMBL1613624 | 0.76 | S1PR3 (0.47) | KDM4EALDH1A1RAB9ACYP1A2CYP2C9 | |
| SCHEMBL1612257 | 0.76 | CYP1A2 (0.40) | ALDH1A1RAB9ARXFP1CYP1A2CYP2C9 | |
| SCHEMBL1612258 | 0.76 | CYP1A2 (0.40) | ALDH1A1RAB9ARXFP1CYP1A2CYP2C9 | |
| SCHEMBL327641 | 0.74 | SMN1; SMN2 (0.58) | SMN1; SMN2KDM4EALDH1A1RAB9ARXFP1 | |
| SCHEMBL1611874 | 0.73 | S1PR3 (0.39) | ALDH1A1CYP1A2CYP2C9CYP2C19S1PR3 |
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-2009141096-A1 | SUBSTITUTED SPIRO-ISOXAZOLINES | BAYER CROPSCIENCE AG (DE) | 2009-11-26 | — | — | WO | disclosed |