Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.51 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.46 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.46 |
| ▸ | ERN1 | O75460 | 3/20 | 0.45 |
| ▸ | TLR2 | O60603 | 1/20 | 0.45 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.45 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NQO2 | P16083 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL4181276 | 0.82 | PDE3B (0.46) | MCHR1PDE3BPDE3AERN1TLR2 | |
| SCHEMBL1655885 | 0.76 | MCHR1 (0.56) | MCHR1PDE3BPDE3ARAB9ANPC1 | |
| SCHEMBL22902418 | 0.75 | ERN1 (0.39) | ERN1RAB9ANPC1ALDH1A1KDM4E | |
| SCHEMBL30518910 | 0.75 | ALDH1A1 (0.58) | MCHR1PDE3BPDE3AALDH1A1KDM4E | |
| SCHEMBL26051124 | 0.75 | ALDH1A1 (0.58) | MCHR1PDE3BPDE3AALDH1A1KDM4E | |
| SCHEMBL4167658 | 0.74 | PDE4B (0.43) | MCHR1PDE3BPDE3AERN1TLR2 | |
| SCHEMBL22902813 | 0.74 | MCHR1 (0.53) | MCHR1PDE3BPDE3ARAB9ANPC1 | |
| SCHEMBL4717075 | 0.71 | CNR2 (0.49) | MCHR1RAB9ANPC1ALDH1A1KDM4E | |
| SCHEMBL29694483 | 0.71 | MCHR1 (0.57) | MCHR1RAB9ANPC1ALDH1A1KDM4E | |
| SCHEMBL1915239 | 0.71 | MCHR1 (0.57) | MCHR1RAB9ANPC1ALDH1A1KDM4E |
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 |