Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | CES1 | P23141 | 4/20 | 0.36 |
| ▸ | CES2 | O00748 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.35 |
| ▸ | CCR6 | P51684 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2024278 | 0.83 | ALDH1A1 (0.45) | ALDH1A1CYP2C19L3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL29931991 | 0.79 | ALDH1A1 (0.42) | ALDH1A1CYP2C19L3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL7372442 | 0.78 | ALDH1A1 (0.61) | ALDH1A1CYP2C19L3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL11537148 | 0.75 | ALDH1A1 (0.42) | ALDH1A1CYP2C19L3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL11537150 | 0.75 | ALDH1A1 (0.42) | ALDH1A1CYP2C19L3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL3058443 | 0.75 | ALDH1A1 (0.42) | ALDH1A1CYP2C19L3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL28122885 | 0.70 | CES1 (0.38) | ALDH1A1CYP2C19L3MBTL1TDP1HSD17B10 | |
| SCHEMBL8562028 | 0.69 | ALDH1A1 (0.55) | ALDH1A1CYP2C19L3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL6832826 | 0.68 | NFE2L2 (0.43) | ALDH1A1CYP2C19L3MBTL1TDP1HSD17B10 | |
| SCHEMBL4135542 | 0.68 | ALDH1A1 (0.38) | ALDH1A1CYP2C19L3MBTL1CYP1A2CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4076423-A1 | TRPML MODULATORS | Casma Therapeutics, Inc. (US) | 2022-10-26 | — | — | EP | disclosed |
| WO-2021127337-A1 | TRPML MODULATORS | CASMA THERAPEUTICS, INC. (US) | 2021-06-24 | — | — | WO | disclosed |