Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 12/20 | 0.63 |
| ▸ | HTR1B | P28222 | 12/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | THPO | P40225 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 2/20 | 0.47 |
| ▸ | HTR1F | P30939 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.45 |
| ▸ | CCR2 | P41597 | 2/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27758511 | 0.87 | HSD11B1 (0.55) | HTR1DHTR1BHTR1AHTR1F | |
| SCHEMBL27897344 | 0.87 | OPRM1 (0.54) | HTR1DHTR1BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27687984 | 0.84 | KDM4E (0.64) | KDM4EBRD4ALDH1A1POLBCREBBP | |
| SCHEMBL6212815 | 0.83 | HTR1D (0.62) | HTR1DHTR1BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28825402 | 0.81 | BTK (0.44) | HTR1DHTR1BHTR1AHTR1F | |
| SCHEMBL28097373 | 0.80 | SLC6A4 (0.48) | HTR1DHTR1BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27758507 | 0.80 | DRD2 (0.57) | HTR1DHTR1BHTR1AHTR1FKDM4E | |
| SCHEMBL20393392 | 0.80 | HTR1D (0.57) | HTR1DHTR1BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28024448 | 0.79 | OPRL1 (0.36) | HTR1DHTR1BCYP3A4CYP2C9MAPT | |
| SCHEMBL1121919 | 0.79 | HTR1D (0.68) | HTR1DHTR1BCYP1A2CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105492434-A | Heterobicycloaryl RORC2 inhibitors and methods of use thereof | PFIZER | 2016-04-13 | — | — | CN | disclosed |