Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.61 |
| ▸ | BLM | P54132 | 2/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 3/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.56 |
| ▸ | SMPD1 | P17405 | 4/20 | 0.53 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9267028 | 1.00 | KDM4E (0.61) | KDM4ECYP1A2CYP3A4CYP2D6BLM | |
| SCHEMBL9265093 | 1.00 | KDM4E (0.61) | KDM4ECYP1A2CYP3A4CYP2D6BLM | |
| SCHEMBL9160064 | 0.79 | CYP3A4 (0.68) | KDM4ECYP1A2CYP3A4CYP2D6BLM | |
| SCHEMBL9264551 | 0.79 | CYP3A4 (0.68) | KDM4ECYP1A2CYP3A4CYP2D6BLM | |
| SCHEMBL9263255 | 0.79 | CYP3A4 (0.68) | KDM4ECYP1A2CYP3A4CYP2D6BLM | |
| SCHEMBL9269718 | 0.79 | CYP3A4 (0.68) | KDM4ECYP1A2CYP3A4CYP2D6BLM | |
| SCHEMBL8828369 | 0.79 | CYP3A4 (0.68) | KDM4ECYP1A2CYP3A4CYP2D6BLM | |
| SCHEMBL9262392 | 0.79 | CYP3A4 (0.68) | KDM4ECYP1A2CYP3A4CYP2D6BLM | |
| SCHEMBL9212854 | 0.78 | CYP3A4 (0.76) | KDM4ECYP1A2CYP3A4CYP2D6BLM | |
| Hydrochloric Acid SCHEMBL27311591 | 0.78 | PMP22 (0.68) | KDM4ECYP1A2CYP3A4CYP2D6BLM |
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 |
|---|---|---|---|---|---|---|---|
| CN-1031754-C | Dithiane | HOFFMANN LA ROCHE (CH) | 1996-05-08 | — | — | CN | disclosed |
| CN-1068569-A | DITHIANE | HOFFMANN LA ROCHE (CH) | 1993-02-03 | — | — | CN | disclosed |