Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.61 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | KMO | O15229 | 1/20 | 0.49 |
| ▸ | TTR | P02766 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | PPARG | P37231 | 2/20 | 0.47 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL29960046 | 0.87 | LMNA (0.48) | AKR1C3MRGPRX4LMNAKMOHTT | |
| SCHEMBL3129398 | 0.87 | LMNA (0.65) | AKR1C3MRGPRX4LMNAKMOTTR | |
| SCHEMBL29960482 | 0.85 | L3MBTL1 (0.49) | AKR1C3LMNAHTTKMT2ANPC1 | |
| SCHEMBL29466776 | 0.84 | AKR1C3 (0.79) | AKR1C3MRGPRX4KMOTTRNR4A2 | |
| SCHEMBL1042630 | 0.84 | AKR1C3 (0.79) | AKR1C3MRGPRX4KMOTTRNR4A2 | |
| Hydrochloric Acid SCHEMBL8434544 | 0.82 | AKR1C3 (0.76) | AKR1C3MRGPRX4KMOTTRPPARG | |
| Hydrochloric Acid SCHEMBL8434547 | 0.82 | AKR1C3 (0.76) | AKR1C3MRGPRX4KMOTTRPPARG | |
| SCHEMBL30618855 | 0.79 | LMNA (0.64) | LMNAHTTKMT2AGAACYP2C9 | |
| SCHEMBL298766 | 0.79 | LMNA (0.64) | LMNAHTTKMT2AGAACYP2C9 | |
| SCHEMBL921873 | 0.78 | AKR1C3 (0.69) | AKR1C3MRGPRX4KMOTTRHTT |
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-2022204150-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS | BLUE OAK PHARMACEUTICALS, INC. (US) | 2022-09-29 | — | — | WO | disclosed |