Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.53 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.43 |
| ▸ | NQO2 | P16083 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HPGDS | O60760 | 2/20 | 0.42 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3208099 | 0.84 | MCHR1 (0.49) | MCHR1PDE3BPDE3ANQO2CYP3A4 | |
| SCHEMBL3221311 | 0.84 | MCHR1 (0.49) | MCHR1PDE3BPDE3ANQO2TLR8 | |
| SCHEMBL1655885 | 0.78 | MCHR1 (0.56) | MCHR1PDE3BPDE3ANQO2CYP3A4 | |
| SCHEMBL4714041 | 0.76 | PDE10A (0.47) | MCHR1TLR8PDE10AKDM4EMAPT | |
| SCHEMBL4185069 | 0.76 | PDE4B (0.43) | MCHR1PDE3BPDE3ACYP3A4ALDH1A1 | |
| SCHEMBL4717995 | 0.76 | PDE10A (0.46) | MCHR1TLR8PDE10A | |
| SCHEMBL4714239 | 0.75 | HSP90AA1 (0.41) | MCHR1NQO2TLR8KDM4E | |
| SCHEMBL4716953 | 0.75 | MCHR1 (0.39) | MCHR1NQO2CYP3A4TDP1HPGDS | |
| SCHEMBL22902818 | 0.74 | MCHR1 (0.51) | MCHR1PDE3BPDE3ANQO2CYP3A4 | |
| SCHEMBL4718160 | 0.74 | ADCY10 (0.46) | NQO2ALDH1A1 |
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-2021011724-A1 | TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2021-01-21 | — | — | WO | disclosed |