Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CCR1 | P32246 | 2/20 | 0.42 |
| ▸ | CCR5 | P51681 | 2/20 | 0.42 |
| ▸ | CCR8 | P51685 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | METAP1 | P53582 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13799177 | 0.98 | HRH3 (0.49) | HRH3CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL2482401 | 0.93 | HRH3 (0.54) | HRH3CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL26210101 | 0.90 | CYP1A2 (0.44) | HRH3CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL8270139 | 0.90 | HRH3 (0.56) | HRH3CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL19559907 | 0.90 | CYP1A2 (0.49) | HRH3CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL28426269 | 0.89 | CYP1A2 (0.46) | HRH3CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL28645180 | 0.86 | KDM4E (0.56) | HRH3CYP1A2CYP2A6HTR1AHTR7 | |
| SCHEMBL11910168 | 0.86 | KDM4E (0.56) | HRH3CYP1A2CYP2A6HTR1AHTR7 | |
| SCHEMBL21506994 | 0.84 | KDM4E (0.59) | HRH3CYP1A2CYP2A6HTR1AHTR7 | |
| SCHEMBL24492797 | 0.82 | KDM4E (0.52) | HRH3CYP1A2CYP2A6HTR1AHTR7 |
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-2016091887-A2 | AMBIPOLAR HOST MATERIALS AND USE THEREOF | CYNORA GMBH (DE) | 2016-06-16 | — | — | WO | disclosed |