Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | OGA | O60502 | 4/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | MME | P08473 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL12053329 | 0.86 | CYP3A4 (0.55) | CYP3A4RAB9ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6138702 | 0.84 | RAB9A (0.56) | CYP3A4RAB9ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL8789026 | 0.83 | RAB9A (0.55) | CYP3A4RAB9ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL7502509 | 0.82 | RAB9A (0.53) | CYP3A4RAB9ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL7332440 | 0.82 | CYP3A4 (0.53) | CYP3A4RAB9ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL24580941 | 0.81 | PTGS1 (0.58) | CYP3A4CYP1A2CYP2C9CYP2C19OGA | |
| SCHEMBL6373806 | 0.80 | RAB9A (0.51) | CYP3A4RAB9ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6975784 | 0.80 | RAB9A (0.51) | CYP3A4RAB9ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL5285048 | 0.78 | CRHBP (0.52) | CYP3A4RAB9ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL8574095 | 0.78 | CYP3A4 (0.50) | CYP3A4RAB9ACYP1A2CYP2D6CYP2C9 |
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-2022140464-A1 | COMPOUNDS AND METHODS FOR TREATING AUTOIMMUNE DISORDERS BY TARGETING HLA-DQ2 | IMMUNOMOLECULAR THERAPEUTICS, INC. (US) | 2022-06-30 | — | — | WO | disclosed |