Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | P4HB | P07237 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4996004 | 0.81 | MEN1 (0.36) | MEN1KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL3714263 | 0.75 | HTR2C (0.43) | KDM4EALDH1A1HTR1AHTR2AHTR2C | |
| SCHEMBL20658216 | 0.71 | NPC1 (0.37) | CYP1A2CYP3A4KMT2ARECQLKDM4E | |
| SCHEMBL4185095 | 0.70 | ALDH1A1 (0.41) | MEN1CYP1A2CYP3A4KMT2ACYP2D6 | |
| SCHEMBL2507997 | 0.68 | FDPS (0.35) | MEN1CYP1A2CYP3A4KMT2ACYP2D6 | |
| SCHEMBL9983256 | 0.67 | MERTK (0.40) | — | |
| SCHEMBL29521086 | 0.67 | HTR2C (0.41) | CYP1A2CYP3A4CYP2D6TSHRRECQL | |
| SCHEMBL8470553 | 0.67 | HTR2C (0.41) | CYP1A2CYP3A4CYP2D6TSHRRECQL | |
| Hydrochloric Acid SCHEMBL10583863 | 0.66 | ADRA2A (0.41) | CYP1A2CYP3A4CYP2D6TSHRRECQL | |
| SCHEMBL9982855 | 0.64 | PIM1 (0.33) | KDM4EPIM1PIM3PIM2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8076338-B2 | Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation | EXELIXIS, INC. (US) | 2011-12-13 | — | — | US | disclosed |