Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CRHR1 | P34998 | 4/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | PRKDC | P78527 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2380918 | 0.81 | CYP1A2 (0.68) | CYP1A2CYP2A6MAPTSMN1; SMN2KDM4E | |
| SCHEMBL260441 | 0.81 | CYP1A2 (0.68) | CYP1A2CYP2A6MAPTSMN1; SMN2KDM4E | |
| SCHEMBL29416731 | 0.81 | CYP1A2 (0.68) | CYP1A2CYP2A6MAPTSMN1; SMN2KDM4E | |
| SCHEMBL15673166 | 0.80 | PABPC1 (0.50) | CYP1A2CYP2A6MAPTSMN1; SMN2KDM4E | |
| SCHEMBL2453274 | 0.79 | CYP1A2 (0.41) | CYP1A2CYP2A6MAPTSMN1; SMN2KDM4E | |
| SCHEMBL29444802 | 0.79 | CYP1A2 (0.41) | CYP1A2CYP2A6MAPTSMN1; SMN2KDM4E | |
| SCHEMBL20609436 | 0.79 | CYP2A6 (0.55) | CYP1A2CYP2A6KDM4EALDH1A1CRHR1 | |
| SCHEMBL21929971 | 0.78 | CYP1A2 (0.81) | CYP1A2CYP2A6MAPTSMN1; SMN2KDM4E | |
| SCHEMBL7937231 | 0.78 | CYP1A2 (0.81) | CYP1A2CYP2A6MAPTSMN1; SMN2KDM4E | |
| SCHEMBL21930041 | 0.78 | CYP1A2 (0.81) | CYP1A2CYP2A6MAPTSMN1; SMN2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-2585216-B1 | PI-ALLYLPALLADIUM AND PI-ALLYLNICKEL COMPLEXES FOR USE AS CATALYSTS IN CARBON-CARBON AND CARBON-NITROGEN COUPLING REACTIONS | JOHNSON MATTHEY PLC (GB) | 2019-11-20 | — | — | EP | disclosed |